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/APT-010b1f7f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/APT-010b1f7f/inputs/seq.fa: 1 curr_seq: _AAAAUCCGUUGAGGUAAGGUGGACAUACUGGCCCCCGGGAUGAAGGGGUCACGUAUGAAGGGUAGGAUAGUAGUUUUUUAGGCGUCCACGGCCUUCAAGGAUGGUAGGCUAGACGCUACGGACUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAUCCGUUGAGGUAAGGUGGACAUACUGGCCCCCGGGAUGAAGGGGUCACGUAUGAAGGGUAGGAUAGUAGUUUUUUAGGCGUCCACGGCCUUCAAGGAUGGUAGGCUAGACGCUACGGACUU 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 125 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: 630 n_atoms_counter: 630 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 125.000000 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/APT-010b1f7f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/APT-010b1f7f/inputs/seq.fa: 1 curr_seq: _AAAAUCCGUUGAGGUAAGGUGGACAUACUGGCCCCCGGGAUGAAGGGGUCACGUAUGAAGGGUAGGAUAGUAGUUUUUUAGGCGUCCACGGCCUUCAAGGAUGGUAGGCUAGACGCUACGGACUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAUCCGUUGAGGUAAGGUGGACAUACUGGCCCCCGGGAUGAAGGGGUCACGUAUGAAGGGUAGGAUAGUAGUUUUUUAGGCGUCCACGGCCUUCAAGGAUGGUAGGCUAGACGCUACGGACUU 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 125 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: 630 n_atoms_counter: 630 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 125.000000 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/APT-010b1f7f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/APT-010b1f7f/inputs/seq.fa: 1 curr_seq: _AAAAUCCGUUGAGGUAAGGUGGACAUACUGGCCCCCGGGAUGAAGGGGUCACGUAUGAAGGGUAGGAUAGUAGUUUUUUAGGCGUCCACGGCCUUCAAGGAUGGUAGGCUAGACGCUACGGACUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAUCCGUUGAGGUAAGGUGGACAUACUGGCCCCCGGGAUGAAGGGGUCACGUAUGAAGGGUAGGAUAGUAGUUUUUUAGGCGUCCACGGCCUUCAAGGAUGGUAGGCUAGACGCUACGGACUU 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 125 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: 630 n_atoms_counter: 630 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 125.000000 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/APT-010b1f7f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/APT-010b1f7f/inputs/seq.fa: 1 curr_seq: _AAAAUCCGUUGAGGUAAGGUGGACAUACUGGCCCCCGGGAUGAAGGGGUCACGUAUGAAGGGUAGGAUAGUAGUUUUUUAGGCGUCCACGGCCUUCAAGGAUGGUAGGCUAGACGCUACGGACUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAUCCGUUGAGGUAAGGUGGACAUACUGGCCCCCGGGAUGAAGGGGUCACGUAUGAAGGGUAGGAUAGUAGUUUUUUAGGCGUCCACGGCCUUCAAGGAUGGUAGGCUAGACGCUACGGACUU 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 125 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: 630 n_atoms_counter: 630 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 125.000000 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/APT-010b1f7f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/APT-010b1f7f/inputs/seq.fa: 1 curr_seq: _AAAAUCCGUUGAGGUAAGGUGGACAUACUGGCCCCCGGGAUGAAGGGGUCACGUAUGAAGGGUAGGAUAGUAGUUUUUUAGGCGUCCACGGCCUUCAAGGAUGGUAGGCUAGACGCUACGGACUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAUCCGUUGAGGUAAGGUGGACAUACUGGCCCCCGGGAUGAAGGGGUCACGUAUGAAGGGUAGGAUAGUAGUUUUUUAGGCGUCCACGGCCUUCAAGGAUGGUAGGCUAGACGCUACGGACUU 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 125 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: 630 n_atoms_counter: 630 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 125.000000 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/APT-010b1f7f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/APT-010b1f7f/inputs/seq.fa: 1 curr_seq: _AAAAUCCGUUGAGGUAAGGUGGACAUACUGGCCCCCGGGAUGAAGGGGUCACGUAUGAAGGGUAGGAUAGUAGUUUUUUAGGCGUCCACGGCCUUCAAGGAUGGUAGGCUAGACGCUACGGACUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAUCCGUUGAGGUAAGGUGGACAUACUGGCCCCCGGGAUGAAGGGGUCACGUAUGAAGGGUAGGAUAGUAGUUUUUUAGGCGUCCACGGCCUUCAAGGAUGGUAGGCUAGACGCUACGGACUU 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 125 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: 630 n_atoms_counter: 630 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 125.000000 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/APT-010b1f7f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/APT-010b1f7f/inputs/seq.fa: 1 curr_seq: _AAAAUCCGUUGAGGUAAGGUGGACAUACUGGCCCCCGGGAUGAAGGGGUCACGUAUGAAGGGUAGGAUAGUAGUUUUUUAGGCGUCCACGGCCUUCAAGGAUGGUAGGCUAGACGCUACGGACUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAUCCGUUGAGGUAAGGUGGACAUACUGGCCCCCGGGAUGAAGGGGUCACGUAUGAAGGGUAGGAUAGUAGUUUUUUAGGCGUCCACGGCCUUCAAGGAUGGUAGGCUAGACGCUACGGACUU 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 125 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: 630 n_atoms_counter: 630 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 125.000000 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/APT-010b1f7f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/APT-010b1f7f/inputs/seq.fa: 1 curr_seq: _AAAAUCCGUUGAGGUAAGGUGGACAUACUGGCCCCCGGGAUGAAGGGGUCACGUAUGAAGGGUAGGAUAGUAGUUUUUUAGGCGUCCACGGCCUUCAAGGAUGGUAGGCUAGACGCUACGGACUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAUCCGUUGAGGUAAGGUGGACAUACUGGCCCCCGGGAUGAAGGGGUCACGUAUGAAGGGUAGGAUAGUAGUUUUUUAGGCGUCCACGGCCUUCAAGGAUGGUAGGCUAGACGCUACGGACUU 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 125 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: 630 n_atoms_counter: 630 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 125.000000 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/APT-010b1f7f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/APT-010b1f7f/inputs/seq.fa: 1 curr_seq: _AAAAUCCGUUGAGGUAAGGUGGACAUACUGGCCCCCGGGAUGAAGGGGUCACGUAUGAAGGGUAGGAUAGUAGUUUUUUAGGCGUCCACGGCCUUCAAGGAUGGUAGGCUAGACGCUACGGACUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAUCCGUUGAGGUAAGGUGGACAUACUGGCCCCCGGGAUGAAGGGGUCACGUAUGAAGGGUAGGAUAGUAGUUUUUUAGGCGUCCACGGCCUUCAAGGAUGGUAGGCUAGACGCUACGGACUU 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 125 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: 630 n_atoms_counter: 630 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 125.000000 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/APT-010b1f7f/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/APT-010b1f7f/inputs/seq.fa: 1 curr_seq: _AAAAUCCGUUGAGGUAAGGUGGACAUACUGGCCCCCGGGAUGAAGGGGUCACGUAUGAAGGGUAGGAUAGUAGUUUUUUAGGCGUCCACGGCCUUCAAGGAUGGUAGGCUAGACGCUACGGACUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAUCCGUUGAGGUAAGGUGGACAUACUGGCCCCCGGGAUGAAGGGGUCACGUAUGAAGGGUAGGAUAGUAGUUUUUUAGGCGUCCACGGCCUUCAAGGAUGGUAGGCUAGACGCUACGGACUU 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 125 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: 630 n_atoms_counter: 630 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 125.000000 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: -503.609113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.609113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.609113 (E_RNA) where: Base-Base interactions energy: -16.912 where: short stacking energy: -16.912 Base-Backbone interact. energy: -0.000 local terms energy: -486.696761 where: bonds (distance) C4'-P energy: -121.447 bonds (distance) P-C4' energy: -112.726 flat angles C4'-P-C4' energy: -91.778 flat angles P-C4'-P energy: -104.984 tors. eta vs tors. theta energy: -55.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -503.609113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.609113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.609113 (E_RNA) where: Base-Base interactions energy: -16.912 where: short stacking energy: -16.912 Base-Backbone interact. energy: -0.000 local terms energy: -486.696761 where: bonds (distance) C4'-P energy: -121.447 bonds (distance) P-C4' energy: -112.726 flat angles C4'-P-C4' energy: -91.778 flat angles P-C4'-P energy: -104.984 tors. eta vs tors. theta energy: -55.761 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: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -503.609113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.609113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.609113 (E_RNA) where: Base-Base interactions energy: -16.912 where: short stacking energy: -16.912 Base-Backbone interact. energy: -0.000 local terms energy: -486.696761 where: bonds (distance) C4'-P energy: -121.447 bonds (distance) P-C4' energy: -112.726 flat angles C4'-P-C4' energy: -91.778 flat angles P-C4'-P energy: -104.984 tors. eta vs tors. theta energy: -55.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -503.609113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.609113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.609113 (E_RNA) where: Base-Base interactions energy: -16.912 where: short stacking energy: -16.912 Base-Backbone interact. energy: -0.000 local terms energy: -486.696761 where: bonds (distance) C4'-P energy: -121.447 bonds (distance) P-C4' energy: -112.726 flat angles C4'-P-C4' energy: -91.778 flat angles P-C4'-P energy: -104.984 tors. eta vs tors. theta energy: -55.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -503.609113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.609113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.609113 (E_RNA) where: Base-Base interactions energy: -16.912 where: short stacking energy: -16.912 Base-Backbone interact. energy: -0.000 local terms energy: -486.696761 where: bonds (distance) C4'-P energy: -121.447 bonds (distance) P-C4' energy: -112.726 flat angles C4'-P-C4' energy: -91.778 flat angles P-C4'-P energy: -104.984 tors. eta vs tors. theta energy: -55.761 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: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -503.609113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.609113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.609113 (E_RNA) where: Base-Base interactions energy: -16.912 where: short stacking energy: -16.912 Base-Backbone interact. energy: -0.000 local terms energy: -486.696761 where: bonds (distance) C4'-P energy: -121.447 bonds (distance) P-C4' energy: -112.726 flat angles C4'-P-C4' energy: -91.778 flat angles P-C4'-P energy: -104.984 tors. eta vs tors. theta energy: -55.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -503.609113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.609113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.609113 (E_RNA) where: Base-Base interactions energy: -16.912 where: short stacking energy: -16.912 Base-Backbone interact. energy: -0.000 local terms energy: -486.696761 where: bonds (distance) C4'-P energy: -121.447 bonds (distance) P-C4' energy: -112.726 flat angles C4'-P-C4' energy: -91.778 flat angles P-C4'-P energy: -104.984 tors. eta vs tors. theta energy: -55.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -503.609113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.609113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.609113 (E_RNA) where: Base-Base interactions energy: -16.912 where: short stacking energy: -16.912 Base-Backbone interact. energy: -0.000 local terms energy: -486.696761 where: bonds (distance) C4'-P energy: -121.447 bonds (distance) P-C4' energy: -112.726 flat angles C4'-P-C4' energy: -91.778 flat angles P-C4'-P energy: -104.984 tors. eta vs tors. theta energy: -55.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -503.609113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.609113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.609113 (E_RNA) where: Base-Base interactions energy: -16.912 where: short stacking energy: -16.912 Base-Backbone interact. energy: -0.000 local terms energy: -486.696761 where: bonds (distance) C4'-P energy: -121.447 bonds (distance) P-C4' energy: -112.726 flat angles C4'-P-C4' energy: -91.778 flat angles P-C4'-P energy: -104.984 tors. eta vs tors. theta energy: -55.761 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: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -503.609113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.609113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.609113 (E_RNA) where: Base-Base interactions energy: -16.912 where: short stacking energy: -16.912 Base-Backbone interact. energy: -0.000 local terms energy: -486.696761 where: bonds (distance) C4'-P energy: -121.447 bonds (distance) P-C4' energy: -112.726 flat angles C4'-P-C4' energy: -91.778 flat angles P-C4'-P energy: -104.984 tors. eta vs tors. theta energy: -55.761 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: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -670.312817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.312817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.312817 (E_RNA) where: Base-Base interactions energy: -285.509 where: short stacking energy: -279.898 Base-Backbone interact. energy: -0.127 local terms energy: -384.676087 where: bonds (distance) C4'-P energy: -82.145 bonds (distance) P-C4' energy: -86.531 flat angles C4'-P-C4' energy: -87.078 flat angles P-C4'-P energy: -50.425 tors. eta vs tors. theta energy: -78.497 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: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -625.278103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.278103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.278103 (E_RNA) where: Base-Base interactions energy: -261.618 where: short stacking energy: -255.473 Base-Backbone interact. energy: 0.144 local terms energy: -363.803713 where: bonds (distance) C4'-P energy: -79.467 bonds (distance) P-C4' energy: -88.517 flat angles C4'-P-C4' energy: -80.732 flat angles P-C4'-P energy: -51.586 tors. eta vs tors. theta energy: -63.502 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: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -562.382923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.382923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.382923 (E_RNA) where: Base-Base interactions energy: -237.792 where: short stacking energy: -225.023 Base-Backbone interact. energy: -2.175 local terms energy: -322.415714 where: bonds (distance) C4'-P energy: -83.848 bonds (distance) P-C4' energy: -68.936 flat angles C4'-P-C4' energy: -71.807 flat angles P-C4'-P energy: -49.004 tors. eta vs tors. theta energy: -48.821 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: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -561.105327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.105327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.105327 (E_RNA) where: Base-Base interactions energy: -251.904 where: short stacking energy: -237.719 Base-Backbone interact. energy: -0.474 local terms energy: -308.727245 where: bonds (distance) C4'-P energy: -66.043 bonds (distance) P-C4' energy: -81.612 flat angles C4'-P-C4' energy: -70.918 flat angles P-C4'-P energy: -45.473 tors. eta vs tors. theta energy: -44.682 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: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -512.155728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.155728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.155728 (E_RNA) where: Base-Base interactions energy: -76.321 where: short stacking energy: -76.321 Base-Backbone interact. energy: -0.000 local terms energy: -435.834126 where: bonds (distance) C4'-P energy: -97.070 bonds (distance) P-C4' energy: -93.930 flat angles C4'-P-C4' energy: -89.668 flat angles P-C4'-P energy: -95.267 tors. eta vs tors. theta energy: -59.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -503.576069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.576069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.576069 (E_RNA) where: Base-Base interactions energy: -24.003 where: short stacking energy: -24.003 Base-Backbone interact. energy: -0.000 local terms energy: -479.573002 where: bonds (distance) C4'-P energy: -120.007 bonds (distance) P-C4' energy: -107.945 flat angles C4'-P-C4' energy: -91.126 flat angles P-C4'-P energy: -104.044 tors. eta vs tors. theta energy: -56.452 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -508.992659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.992659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.992659 (E_RNA) where: Base-Base interactions energy: -81.515 where: short stacking energy: -81.515 Base-Backbone interact. energy: -0.000 local terms energy: -427.477099 where: bonds (distance) C4'-P energy: -95.143 bonds (distance) P-C4' energy: -91.408 flat angles C4'-P-C4' energy: -89.151 flat angles P-C4'-P energy: -90.933 tors. eta vs tors. theta energy: -60.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -505.040768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.040768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.040768 (E_RNA) where: Base-Base interactions energy: -43.982 where: short stacking energy: -43.982 Base-Backbone interact. energy: -0.000 local terms energy: -461.058261 where: bonds (distance) C4'-P energy: -111.645 bonds (distance) P-C4' energy: -99.891 flat angles C4'-P-C4' energy: -91.976 flat angles P-C4'-P energy: -100.346 tors. eta vs tors. theta energy: -57.200 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: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -508.325819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.325819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.325819 (E_RNA) where: Base-Base interactions energy: -25.586 where: short stacking energy: -25.586 Base-Backbone interact. energy: -0.000 local terms energy: -482.740110 where: bonds (distance) C4'-P energy: -120.450 bonds (distance) P-C4' energy: -110.454 flat angles C4'-P-C4' energy: -91.263 flat angles P-C4'-P energy: -104.379 tors. eta vs tors. theta energy: -56.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -508.318300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.318300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.318300 (E_RNA) where: Base-Base interactions energy: -25.578 where: short stacking energy: -25.578 Base-Backbone interact. energy: -0.000 local terms energy: -482.740110 where: bonds (distance) C4'-P energy: -120.450 bonds (distance) P-C4' energy: -110.454 flat angles C4'-P-C4' energy: -91.263 flat angles P-C4'-P energy: -104.379 tors. eta vs tors. theta energy: -56.193 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: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -662.549881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.549881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.549881 (E_RNA) where: Base-Base interactions energy: -294.787 where: short stacking energy: -274.716 Base-Backbone interact. energy: -0.843 local terms energy: -366.919794 where: bonds (distance) C4'-P energy: -79.849 bonds (distance) P-C4' energy: -78.381 flat angles C4'-P-C4' energy: -88.942 flat angles P-C4'-P energy: -56.185 tors. eta vs tors. theta energy: -63.563 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: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -635.438545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.438545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.438545 (E_RNA) where: Base-Base interactions energy: -279.364 where: short stacking energy: -273.624 Base-Backbone interact. energy: -0.267 local terms energy: -355.808123 where: bonds (distance) C4'-P energy: -84.077 bonds (distance) P-C4' energy: -73.605 flat angles C4'-P-C4' energy: -82.140 flat angles P-C4'-P energy: -52.047 tors. eta vs tors. theta energy: -63.940 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: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -612.183330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.183330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.183330 (E_RNA) where: Base-Base interactions energy: -288.899 where: short stacking energy: -242.270 Base-Backbone interact. energy: -1.298 local terms energy: -321.986237 where: bonds (distance) C4'-P energy: -74.982 bonds (distance) P-C4' energy: -75.888 flat angles C4'-P-C4' energy: -76.379 flat angles P-C4'-P energy: -43.480 tors. eta vs tors. theta energy: -51.257 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: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -569.800062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.800062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.800062 (E_RNA) where: Base-Base interactions energy: -265.433 where: short stacking energy: -213.922 Base-Backbone interact. energy: 1.350 local terms energy: -305.716876 where: bonds (distance) C4'-P energy: -77.031 bonds (distance) P-C4' energy: -74.178 flat angles C4'-P-C4' energy: -72.029 flat angles P-C4'-P energy: -44.032 tors. eta vs tors. theta energy: -38.448 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: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -490.039654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.039654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.039654 (E_RNA) where: Base-Base interactions energy: -203.819 where: short stacking energy: -177.583 Base-Backbone interact. energy: 2.294 local terms energy: -288.514835 where: bonds (distance) C4'-P energy: -65.934 bonds (distance) P-C4' energy: -71.438 flat angles C4'-P-C4' energy: -79.564 flat angles P-C4'-P energy: -43.898 tors. eta vs tors. theta energy: -27.680 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: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -499.026312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.026312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.026312 (E_RNA) where: Base-Base interactions energy: -211.308 where: short stacking energy: -149.164 Base-Backbone interact. energy: -2.804 local terms energy: -284.914821 where: bonds (distance) C4'-P energy: -72.917 bonds (distance) P-C4' energy: -76.662 flat angles C4'-P-C4' energy: -76.898 flat angles P-C4'-P energy: -43.893 tors. eta vs tors. theta energy: -14.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -426.915953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.915953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.915953 (E_RNA) where: Base-Base interactions energy: -188.353 where: short stacking energy: -155.431 Base-Backbone interact. energy: -0.629 local terms energy: -237.934374 where: bonds (distance) C4'-P energy: -78.422 bonds (distance) P-C4' energy: -72.769 flat angles C4'-P-C4' energy: -49.459 flat angles P-C4'-P energy: -38.879 tors. eta vs tors. theta energy: 1.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -395.991253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.991253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.991253 (E_RNA) where: Base-Base interactions energy: -175.295 where: short stacking energy: -124.766 Base-Backbone interact. energy: 2.412 local terms energy: -223.107806 where: bonds (distance) C4'-P energy: -68.919 bonds (distance) P-C4' energy: -73.580 flat angles C4'-P-C4' energy: -46.384 flat angles P-C4'-P energy: -29.711 tors. eta vs tors. theta energy: -4.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -382.741336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.741336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.741336 (E_RNA) where: Base-Base interactions energy: -164.245 where: short stacking energy: -98.792 Base-Backbone interact. energy: 0.211 local terms energy: -218.707969 where: bonds (distance) C4'-P energy: -76.347 bonds (distance) P-C4' energy: -70.231 flat angles C4'-P-C4' energy: -58.526 flat angles P-C4'-P energy: -19.235 tors. eta vs tors. theta energy: 5.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -340.452944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.452944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.452944 (E_RNA) where: Base-Base interactions energy: -105.741 where: short stacking energy: -95.226 Base-Backbone interact. energy: -1.771 local terms energy: -232.941320 where: bonds (distance) C4'-P energy: -52.631 bonds (distance) P-C4' energy: -67.674 flat angles C4'-P-C4' energy: -58.159 flat angles P-C4'-P energy: -48.072 tors. eta vs tors. theta energy: -6.404 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: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -725.460889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.460889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.460889 (E_RNA) where: Base-Base interactions energy: -358.465 where: short stacking energy: -295.615 Base-Backbone interact. energy: -2.002 local terms energy: -364.993742 where: bonds (distance) C4'-P energy: -83.048 bonds (distance) P-C4' energy: -81.415 flat angles C4'-P-C4' energy: -69.967 flat angles P-C4'-P energy: -60.368 tors. eta vs tors. theta energy: -70.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -701.470111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.470111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.470111 (E_RNA) where: Base-Base interactions energy: -371.313 where: short stacking energy: -259.353 Base-Backbone interact. energy: -1.827 local terms energy: -328.330559 where: bonds (distance) C4'-P energy: -75.296 bonds (distance) P-C4' energy: -77.347 flat angles C4'-P-C4' energy: -74.522 flat angles P-C4'-P energy: -47.468 tors. eta vs tors. theta energy: -53.698 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: 4 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -664.448028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.448028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.448028 (E_RNA) where: Base-Base interactions energy: -340.075 where: short stacking energy: -230.905 Base-Backbone interact. energy: -0.834 local terms energy: -323.538956 where: bonds (distance) C4'-P energy: -68.168 bonds (distance) P-C4' energy: -77.169 flat angles C4'-P-C4' energy: -83.624 flat angles P-C4'-P energy: -48.900 tors. eta vs tors. theta energy: -45.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -636.961623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.961623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.961623 (E_RNA) where: Base-Base interactions energy: -308.022 where: short stacking energy: -237.031 Base-Backbone interact. energy: -1.202 local terms energy: -327.737109 where: bonds (distance) C4'-P energy: -72.920 bonds (distance) P-C4' energy: -66.645 flat angles C4'-P-C4' energy: -84.692 flat angles P-C4'-P energy: -48.821 tors. eta vs tors. theta energy: -54.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -524.469449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.469449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.469449 (E_RNA) where: Base-Base interactions energy: -273.946 where: short stacking energy: -197.929 Base-Backbone interact. energy: -2.323 local terms energy: -248.200668 where: bonds (distance) C4'-P energy: -56.311 bonds (distance) P-C4' energy: -71.012 flat angles C4'-P-C4' energy: -74.502 flat angles P-C4'-P energy: -35.979 tors. eta vs tors. theta energy: -10.396 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: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -548.274572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.274572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.274572 (E_RNA) where: Base-Base interactions energy: -250.303 where: short stacking energy: -167.783 Base-Backbone interact. energy: -2.933 local terms energy: -295.038813 where: bonds (distance) C4'-P energy: -72.136 bonds (distance) P-C4' energy: -82.246 flat angles C4'-P-C4' energy: -56.645 flat angles P-C4'-P energy: -48.177 tors. eta vs tors. theta energy: -35.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -408.265521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.265521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.265521 (E_RNA) where: Base-Base interactions energy: -173.905 where: short stacking energy: -147.929 Base-Backbone interact. energy: 7.948 local terms energy: -242.309171 where: bonds (distance) C4'-P energy: -74.582 bonds (distance) P-C4' energy: -76.318 flat angles C4'-P-C4' energy: -59.513 flat angles P-C4'-P energy: -38.587 tors. eta vs tors. theta energy: 6.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -432.859444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.859444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.859444 (E_RNA) where: Base-Base interactions energy: -195.097 where: short stacking energy: -167.512 Base-Backbone interact. energy: -1.021 local terms energy: -236.741856 where: bonds (distance) C4'-P energy: -60.851 bonds (distance) P-C4' energy: -64.674 flat angles C4'-P-C4' energy: -60.105 flat angles P-C4'-P energy: -31.045 tors. eta vs tors. theta energy: -20.067 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: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -362.613043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.613043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.613043 (E_RNA) where: Base-Base interactions energy: -147.103 where: short stacking energy: -120.326 Base-Backbone interact. energy: 2.126 local terms energy: -217.635737 where: bonds (distance) C4'-P energy: -64.978 bonds (distance) P-C4' energy: -65.151 flat angles C4'-P-C4' energy: -56.157 flat angles P-C4'-P energy: -30.558 tors. eta vs tors. theta energy: -0.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -316.839508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.839508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.839508 (E_RNA) where: Base-Base interactions energy: -110.645 where: short stacking energy: -106.759 Base-Backbone interact. energy: 0.506 local terms energy: -206.700529 where: bonds (distance) C4'-P energy: -56.854 bonds (distance) P-C4' energy: -81.974 flat angles C4'-P-C4' energy: -50.358 flat angles P-C4'-P energy: -23.064 tors. eta vs tors. theta energy: 5.549 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: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -804.664761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.664761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.664761 (E_RNA) where: Base-Base interactions energy: -431.113 where: short stacking energy: -307.748 Base-Backbone interact. energy: -3.072 local terms energy: -370.479752 where: bonds (distance) C4'-P energy: -79.379 bonds (distance) P-C4' energy: -80.659 flat angles C4'-P-C4' energy: -76.554 flat angles P-C4'-P energy: -58.301 tors. eta vs tors. theta energy: -75.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -792.755245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.755245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.755245 (E_RNA) where: Base-Base interactions energy: -450.255 where: short stacking energy: -299.802 Base-Backbone interact. energy: -0.382 local terms energy: -342.118437 where: bonds (distance) C4'-P energy: -62.965 bonds (distance) P-C4' energy: -89.398 flat angles C4'-P-C4' energy: -82.650 flat angles P-C4'-P energy: -33.744 tors. eta vs tors. theta energy: -73.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -769.663996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.663996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.663996 (E_RNA) where: Base-Base interactions energy: -428.429 where: short stacking energy: -253.340 Base-Backbone interact. energy: 0.149 local terms energy: -341.383900 where: bonds (distance) C4'-P energy: -77.075 bonds (distance) P-C4' energy: -79.899 flat angles C4'-P-C4' energy: -85.856 flat angles P-C4'-P energy: -53.098 tors. eta vs tors. theta energy: -45.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -657.008636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.008636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.008636 (E_RNA) where: Base-Base interactions energy: -362.724 where: short stacking energy: -200.874 Base-Backbone interact. energy: 1.536 local terms energy: -295.821089 where: bonds (distance) C4'-P energy: -71.722 bonds (distance) P-C4' energy: -79.103 flat angles C4'-P-C4' energy: -76.062 flat angles P-C4'-P energy: -38.699 tors. eta vs tors. theta energy: -30.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -561.779027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.779027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.779027 (E_RNA) where: Base-Base interactions energy: -275.962 where: short stacking energy: -202.054 Base-Backbone interact. energy: 0.270 local terms energy: -286.086971 where: bonds (distance) C4'-P energy: -72.914 bonds (distance) P-C4' energy: -74.384 flat angles C4'-P-C4' energy: -62.078 flat angles P-C4'-P energy: -38.472 tors. eta vs tors. theta energy: -38.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -515.504472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.504472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.504472 (E_RNA) where: Base-Base interactions energy: -250.250 where: short stacking energy: -145.556 Base-Backbone interact. energy: -0.561 local terms energy: -264.693417 where: bonds (distance) C4'-P energy: -68.972 bonds (distance) P-C4' energy: -66.428 flat angles C4'-P-C4' energy: -55.467 flat angles P-C4'-P energy: -48.687 tors. eta vs tors. theta energy: -25.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -543.926298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.926298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.926298 (E_RNA) where: Base-Base interactions energy: -257.822 where: short stacking energy: -192.757 Base-Backbone interact. energy: -1.987 local terms energy: -284.117262 where: bonds (distance) C4'-P energy: -73.350 bonds (distance) P-C4' energy: -83.254 flat angles C4'-P-C4' energy: -56.098 flat angles P-C4'-P energy: -48.152 tors. eta vs tors. theta energy: -23.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -457.763336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.763336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.763336 (E_RNA) where: Base-Base interactions energy: -221.241 where: short stacking energy: -135.080 Base-Backbone interact. energy: -1.436 local terms energy: -235.085828 where: bonds (distance) C4'-P energy: -66.353 bonds (distance) P-C4' energy: -66.535 flat angles C4'-P-C4' energy: -63.459 flat angles P-C4'-P energy: -35.138 tors. eta vs tors. theta energy: -3.601 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: 6 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -353.635604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.635604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.635604 (E_RNA) where: Base-Base interactions energy: -156.153 where: short stacking energy: -122.514 Base-Backbone interact. energy: 0.418 local terms energy: -197.900403 where: bonds (distance) C4'-P energy: -61.109 bonds (distance) P-C4' energy: -68.907 flat angles C4'-P-C4' energy: -49.750 flat angles P-C4'-P energy: -27.716 tors. eta vs tors. theta energy: 9.581 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: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -323.820631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.820631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.820631 (E_RNA) where: Base-Base interactions energy: -114.572 where: short stacking energy: -100.038 Base-Backbone interact. energy: -2.300 local terms energy: -206.948703 where: bonds (distance) C4'-P energy: -63.291 bonds (distance) P-C4' energy: -74.731 flat angles C4'-P-C4' energy: -42.896 flat angles P-C4'-P energy: -35.414 tors. eta vs tors. theta energy: 9.383 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: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -814.364018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.364018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.364018 (E_RNA) where: Base-Base interactions energy: -441.060 where: short stacking energy: -299.328 Base-Backbone interact. energy: -1.863 local terms energy: -371.441493 where: bonds (distance) C4'-P energy: -78.978 bonds (distance) P-C4' energy: -83.634 flat angles C4'-P-C4' energy: -71.675 flat angles P-C4'-P energy: -60.788 tors. eta vs tors. theta energy: -76.367 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: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -805.477429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.477429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.477429 (E_RNA) where: Base-Base interactions energy: -457.564 where: short stacking energy: -313.034 Base-Backbone interact. energy: -1.470 local terms energy: -346.442617 where: bonds (distance) C4'-P energy: -80.585 bonds (distance) P-C4' energy: -72.065 flat angles C4'-P-C4' energy: -68.792 flat angles P-C4'-P energy: -46.677 tors. eta vs tors. theta energy: -78.324 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: 4 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -780.328340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.328340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.328340 (E_RNA) where: Base-Base interactions energy: -456.705 where: short stacking energy: -267.097 Base-Backbone interact. energy: -0.632 local terms energy: -322.991860 where: bonds (distance) C4'-P energy: -66.334 bonds (distance) P-C4' energy: -67.187 flat angles C4'-P-C4' energy: -76.850 flat angles P-C4'-P energy: -52.791 tors. eta vs tors. theta energy: -59.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -712.053909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.053909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.053909 (E_RNA) where: Base-Base interactions energy: -393.171 where: short stacking energy: -253.020 Base-Backbone interact. energy: -0.410 local terms energy: -318.472138 where: bonds (distance) C4'-P energy: -78.283 bonds (distance) P-C4' energy: -82.098 flat angles C4'-P-C4' energy: -73.088 flat angles P-C4'-P energy: -38.265 tors. eta vs tors. theta energy: -46.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -601.748960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.748960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.748960 (E_RNA) where: Base-Base interactions energy: -305.867 where: short stacking energy: -215.359 Base-Backbone interact. energy: -1.927 local terms energy: -293.954573 where: bonds (distance) C4'-P energy: -75.917 bonds (distance) P-C4' energy: -77.856 flat angles C4'-P-C4' energy: -66.464 flat angles P-C4'-P energy: -38.210 tors. eta vs tors. theta energy: -35.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -510.651366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.651366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.651366 (E_RNA) where: Base-Base interactions energy: -222.317 where: short stacking energy: -150.118 Base-Backbone interact. energy: 1.591 local terms energy: -289.925462 where: bonds (distance) C4'-P energy: -68.657 bonds (distance) P-C4' energy: -67.192 flat angles C4'-P-C4' energy: -74.034 flat angles P-C4'-P energy: -45.507 tors. eta vs tors. theta energy: -34.536 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: 7, replica: 10 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -549.181682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.181682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.181682 (E_RNA) where: Base-Base interactions energy: -286.490 where: short stacking energy: -177.815 Base-Backbone interact. energy: -3.812 local terms energy: -258.879666 where: bonds (distance) C4'-P energy: -66.284 bonds (distance) P-C4' energy: -75.920 flat angles C4'-P-C4' energy: -76.376 flat angles P-C4'-P energy: -32.200 tors. eta vs tors. theta energy: -8.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -434.852402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.852402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.852402 (E_RNA) where: Base-Base interactions energy: -199.498 where: short stacking energy: -142.369 Base-Backbone interact. energy: -0.627 local terms energy: -234.726946 where: bonds (distance) C4'-P energy: -67.880 bonds (distance) P-C4' energy: -64.453 flat angles C4'-P-C4' energy: -59.919 flat angles P-C4'-P energy: -37.200 tors. eta vs tors. theta energy: -5.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -376.770732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.770732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.770732 (E_RNA) where: Base-Base interactions energy: -157.788 where: short stacking energy: -124.531 Base-Backbone interact. energy: -1.341 local terms energy: -217.641045 where: bonds (distance) C4'-P energy: -65.850 bonds (distance) P-C4' energy: -70.495 flat angles C4'-P-C4' energy: -57.806 flat angles P-C4'-P energy: -29.882 tors. eta vs tors. theta energy: 6.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -318.826899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.826899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.826899 (E_RNA) where: Base-Base interactions energy: -126.003 where: short stacking energy: -97.184 Base-Backbone interact. energy: -0.978 local terms energy: -191.845564 where: bonds (distance) C4'-P energy: -74.414 bonds (distance) P-C4' energy: -57.870 flat angles C4'-P-C4' energy: -52.451 flat angles P-C4'-P energy: -33.593 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: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -833.523289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.523289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.523289 (E_RNA) where: Base-Base interactions energy: -459.923 where: short stacking energy: -328.169 Base-Backbone interact. energy: 0.449 local terms energy: -374.048657 where: bonds (distance) C4'-P energy: -63.212 bonds (distance) P-C4' energy: -88.375 flat angles C4'-P-C4' energy: -84.715 flat angles P-C4'-P energy: -57.364 tors. eta vs tors. theta energy: -80.383 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: 4 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -891.500081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.500081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.500081 (E_RNA) where: Base-Base interactions energy: -539.712 where: short stacking energy: -309.074 Base-Backbone interact. energy: -2.152 local terms energy: -349.636113 where: bonds (distance) C4'-P energy: -73.663 bonds (distance) P-C4' energy: -73.528 flat angles C4'-P-C4' energy: -81.276 flat angles P-C4'-P energy: -57.923 tors. eta vs tors. theta energy: -63.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -789.403453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.403453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.403453 (E_RNA) where: Base-Base interactions energy: -442.740 where: short stacking energy: -258.437 Base-Backbone interact. energy: -1.417 local terms energy: -345.246521 where: bonds (distance) C4'-P energy: -74.604 bonds (distance) P-C4' energy: -91.839 flat angles C4'-P-C4' energy: -68.599 flat angles P-C4'-P energy: -46.994 tors. eta vs tors. theta energy: -63.211 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: 4, replica: 3 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -749.741865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.741865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.741865 (E_RNA) where: Base-Base interactions energy: -416.895 where: short stacking energy: -236.019 Base-Backbone interact. energy: -2.147 local terms energy: -330.699642 where: bonds (distance) C4'-P energy: -68.611 bonds (distance) P-C4' energy: -80.177 flat angles C4'-P-C4' energy: -79.634 flat angles P-C4'-P energy: -47.362 tors. eta vs tors. theta energy: -54.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -598.065941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.065941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.065941 (E_RNA) where: Base-Base interactions energy: -299.392 where: short stacking energy: -207.118 Base-Backbone interact. energy: -0.039 local terms energy: -298.634336 where: bonds (distance) C4'-P energy: -71.665 bonds (distance) P-C4' energy: -69.689 flat angles C4'-P-C4' energy: -75.187 flat angles P-C4'-P energy: -43.099 tors. eta vs tors. theta energy: -38.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -604.676744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.676744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.676744 (E_RNA) where: Base-Base interactions energy: -344.800 where: short stacking energy: -201.066 Base-Backbone interact. energy: 0.096 local terms energy: -259.973307 where: bonds (distance) C4'-P energy: -67.209 bonds (distance) P-C4' energy: -69.559 flat angles C4'-P-C4' energy: -64.650 flat angles P-C4'-P energy: -28.090 tors. eta vs tors. theta energy: -30.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -517.082276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.082276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.082276 (E_RNA) where: Base-Base interactions energy: -259.747 where: short stacking energy: -160.165 Base-Backbone interact. energy: 3.066 local terms energy: -260.401168 where: bonds (distance) C4'-P energy: -62.222 bonds (distance) P-C4' energy: -71.851 flat angles C4'-P-C4' energy: -70.781 flat angles P-C4'-P energy: -41.751 tors. eta vs tors. theta energy: -13.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -430.515998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.515998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.515998 (E_RNA) where: Base-Base interactions energy: -196.127 where: short stacking energy: -132.135 Base-Backbone interact. energy: 0.200 local terms energy: -234.588938 where: bonds (distance) C4'-P energy: -65.497 bonds (distance) P-C4' energy: -73.611 flat angles C4'-P-C4' energy: -67.579 flat angles P-C4'-P energy: -33.452 tors. eta vs tors. theta energy: 5.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -355.343465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.343465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.343465 (E_RNA) where: Base-Base interactions energy: -155.769 where: short stacking energy: -102.285 Base-Backbone interact. energy: 3.626 local terms energy: -203.200137 where: bonds (distance) C4'-P energy: -70.742 bonds (distance) P-C4' energy: -74.599 flat angles C4'-P-C4' energy: -40.273 flat angles P-C4'-P energy: -30.225 tors. eta vs tors. theta energy: 12.639 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: 6 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -323.275510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.275510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.275510 (E_RNA) where: Base-Base interactions energy: -131.291 where: short stacking energy: -112.195 Base-Backbone interact. energy: 4.060 local terms energy: -196.044500 where: bonds (distance) C4'-P energy: -51.158 bonds (distance) P-C4' energy: -68.061 flat angles C4'-P-C4' energy: -41.234 flat angles P-C4'-P energy: -36.780 tors. eta vs tors. theta energy: 1.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -921.206586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.206586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.206586 (E_RNA) where: Base-Base interactions energy: -575.569 where: short stacking energy: -300.559 Base-Backbone interact. energy: 0.163 local terms energy: -345.800180 where: bonds (distance) C4'-P energy: -79.424 bonds (distance) P-C4' energy: -87.299 flat angles C4'-P-C4' energy: -74.625 flat angles P-C4'-P energy: -38.462 tors. eta vs tors. theta energy: -65.989 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: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -806.750167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.750167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.750167 (E_RNA) where: Base-Base interactions energy: -445.025 where: short stacking energy: -299.791 Base-Backbone interact. energy: -0.625 local terms energy: -361.100091 where: bonds (distance) C4'-P energy: -81.579 bonds (distance) P-C4' energy: -74.761 flat angles C4'-P-C4' energy: -78.003 flat angles P-C4'-P energy: -57.848 tors. eta vs tors. theta energy: -68.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -823.079687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.079687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.079687 (E_RNA) where: Base-Base interactions energy: -488.159 where: short stacking energy: -272.783 Base-Backbone interact. energy: 0.293 local terms energy: -335.213365 where: bonds (distance) C4'-P energy: -75.780 bonds (distance) P-C4' energy: -78.902 flat angles C4'-P-C4' energy: -85.334 flat angles P-C4'-P energy: -42.075 tors. eta vs tors. theta energy: -53.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -763.773553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.773553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.773553 (E_RNA) where: Base-Base interactions energy: -442.392 where: short stacking energy: -243.437 Base-Backbone interact. energy: -0.348 local terms energy: -321.033479 where: bonds (distance) C4'-P energy: -68.698 bonds (distance) P-C4' energy: -76.467 flat angles C4'-P-C4' energy: -72.095 flat angles P-C4'-P energy: -50.133 tors. eta vs tors. theta energy: -53.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -676.007187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.007187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.007187 (E_RNA) where: Base-Base interactions energy: -370.316 where: short stacking energy: -226.367 Base-Backbone interact. energy: 3.370 local terms energy: -309.060343 where: bonds (distance) C4'-P energy: -71.941 bonds (distance) P-C4' energy: -77.481 flat angles C4'-P-C4' energy: -75.409 flat angles P-C4'-P energy: -40.936 tors. eta vs tors. theta energy: -43.294 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: 8 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -547.416685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.416685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.416685 (E_RNA) where: Base-Base interactions energy: -254.295 where: short stacking energy: -165.360 Base-Backbone interact. energy: 1.710 local terms energy: -294.831802 where: bonds (distance) C4'-P energy: -62.943 bonds (distance) P-C4' energy: -77.903 flat angles C4'-P-C4' energy: -76.083 flat angles P-C4'-P energy: -53.454 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: 7, replica: 5 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -514.344081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.344081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.344081 (E_RNA) where: Base-Base interactions energy: -273.193 where: short stacking energy: -156.152 Base-Backbone interact. energy: 2.658 local terms energy: -243.809329 where: bonds (distance) C4'-P energy: -52.308 bonds (distance) P-C4' energy: -72.354 flat angles C4'-P-C4' energy: -72.058 flat angles P-C4'-P energy: -39.207 tors. eta vs tors. theta energy: -7.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -400.536016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.536016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.536016 (E_RNA) where: Base-Base interactions energy: -163.117 where: short stacking energy: -129.246 Base-Backbone interact. energy: 0.580 local terms energy: -237.998743 where: bonds (distance) C4'-P energy: -75.076 bonds (distance) P-C4' energy: -54.112 flat angles C4'-P-C4' energy: -59.154 flat angles P-C4'-P energy: -41.884 tors. eta vs tors. theta energy: -7.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -340.142939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.142939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.142939 (E_RNA) where: Base-Base interactions energy: -119.101 where: short stacking energy: -104.451 Base-Backbone interact. energy: -0.644 local terms energy: -220.398301 where: bonds (distance) C4'-P energy: -60.150 bonds (distance) P-C4' energy: -85.458 flat angles C4'-P-C4' energy: -52.060 flat angles P-C4'-P energy: -30.242 tors. eta vs tors. theta energy: 7.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -311.371307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.371307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.371307 (E_RNA) where: Base-Base interactions energy: -119.940 where: short stacking energy: -85.149 Base-Backbone interact. energy: -0.899 local terms energy: -190.532777 where: bonds (distance) C4'-P energy: -63.561 bonds (distance) P-C4' energy: -68.650 flat angles C4'-P-C4' energy: -51.631 flat angles P-C4'-P energy: -26.785 tors. eta vs tors. theta energy: 20.094 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: 1, replica: 4 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -939.155244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.155244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.155244 (E_RNA) where: Base-Base interactions energy: -571.448 where: short stacking energy: -276.875 Base-Backbone interact. energy: -2.369 local terms energy: -365.338071 where: bonds (distance) C4'-P energy: -75.550 bonds (distance) P-C4' energy: -82.749 flat angles C4'-P-C4' energy: -77.340 flat angles P-C4'-P energy: -52.391 tors. eta vs tors. theta energy: -77.308 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: 2 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -928.889245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.889245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.889245 (E_RNA) where: Base-Base interactions energy: -563.136 where: short stacking energy: -296.681 Base-Backbone interact. energy: -0.286 local terms energy: -365.466493 where: bonds (distance) C4'-P energy: -82.081 bonds (distance) P-C4' energy: -84.914 flat angles C4'-P-C4' energy: -81.975 flat angles P-C4'-P energy: -48.737 tors. eta vs tors. theta energy: -67.759 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: 1 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -754.229154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.229154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.229154 (E_RNA) where: Base-Base interactions energy: -414.400 where: short stacking energy: -253.611 Base-Backbone interact. energy: -1.983 local terms energy: -337.845641 where: bonds (distance) C4'-P energy: -67.049 bonds (distance) P-C4' energy: -85.466 flat angles C4'-P-C4' energy: -75.681 flat angles P-C4'-P energy: -50.389 tors. eta vs tors. theta energy: -59.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -794.596392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.596392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.596392 (E_RNA) where: Base-Base interactions energy: -461.808 where: short stacking energy: -254.682 Base-Backbone interact. energy: -0.730 local terms energy: -332.057769 where: bonds (distance) C4'-P energy: -80.476 bonds (distance) P-C4' energy: -74.227 flat angles C4'-P-C4' energy: -82.963 flat angles P-C4'-P energy: -38.473 tors. eta vs tors. theta energy: -55.919 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: 10 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -764.247944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.247944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.247944 (E_RNA) where: Base-Base interactions energy: -458.338 where: short stacking energy: -225.635 Base-Backbone interact. energy: -3.887 local terms energy: -302.023472 where: bonds (distance) C4'-P energy: -72.164 bonds (distance) P-C4' energy: -70.123 flat angles C4'-P-C4' energy: -74.065 flat angles P-C4'-P energy: -37.933 tors. eta vs tors. theta energy: -47.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -562.623641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.623641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.623641 (E_RNA) where: Base-Base interactions energy: -295.024 where: short stacking energy: -189.057 Base-Backbone interact. energy: 1.173 local terms energy: -268.772878 where: bonds (distance) C4'-P energy: -71.738 bonds (distance) P-C4' energy: -76.819 flat angles C4'-P-C4' energy: -67.072 flat angles P-C4'-P energy: -41.241 tors. eta vs tors. theta energy: -11.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -545.080350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.080350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.080350 (E_RNA) where: Base-Base interactions energy: -301.298 where: short stacking energy: -166.499 Base-Backbone interact. energy: -1.912 local terms energy: -241.869858 where: bonds (distance) C4'-P energy: -71.368 bonds (distance) P-C4' energy: -71.877 flat angles C4'-P-C4' energy: -58.129 flat angles P-C4'-P energy: -32.413 tors. eta vs tors. theta energy: -8.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -445.444151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.444151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.444151 (E_RNA) where: Base-Base interactions energy: -199.262 where: short stacking energy: -139.748 Base-Backbone interact. energy: -1.143 local terms energy: -245.038849 where: bonds (distance) C4'-P energy: -72.910 bonds (distance) P-C4' energy: -53.244 flat angles C4'-P-C4' energy: -70.819 flat angles P-C4'-P energy: -42.708 tors. eta vs tors. theta energy: -5.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -368.985309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.985309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.985309 (E_RNA) where: Base-Base interactions energy: -156.321 where: short stacking energy: -135.174 Base-Backbone interact. energy: -0.851 local terms energy: -211.813191 where: bonds (distance) C4'-P energy: -59.329 bonds (distance) P-C4' energy: -56.650 flat angles C4'-P-C4' energy: -60.173 flat angles P-C4'-P energy: -32.198 tors. eta vs tors. theta energy: -3.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -342.956090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.956090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.956090 (E_RNA) where: Base-Base interactions energy: -121.919 where: short stacking energy: -107.554 Base-Backbone interact. energy: -0.617 local terms energy: -220.420436 where: bonds (distance) C4'-P energy: -63.894 bonds (distance) P-C4' energy: -66.095 flat angles C4'-P-C4' energy: -62.810 flat angles P-C4'-P energy: -28.772 tors. eta vs tors. theta energy: 1.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -958.977370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.977370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.977370 (E_RNA) where: Base-Base interactions energy: -597.016 where: short stacking energy: -296.116 Base-Backbone interact. energy: -1.423 local terms energy: -360.537985 where: bonds (distance) C4'-P energy: -82.194 bonds (distance) P-C4' energy: -85.487 flat angles C4'-P-C4' energy: -76.162 flat angles P-C4'-P energy: -54.342 tors. eta vs tors. theta energy: -62.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -908.903968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.903968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.903968 (E_RNA) where: Base-Base interactions energy: -534.699 where: short stacking energy: -285.699 Base-Backbone interact. energy: 0.309 local terms energy: -374.514025 where: bonds (distance) C4'-P energy: -79.488 bonds (distance) P-C4' energy: -84.619 flat angles C4'-P-C4' energy: -87.530 flat angles P-C4'-P energy: -54.144 tors. eta vs tors. theta energy: -68.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -787.380282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.380282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.380282 (E_RNA) where: Base-Base interactions energy: -443.034 where: short stacking energy: -251.183 Base-Backbone interact. energy: -0.471 local terms energy: -343.876060 where: bonds (distance) C4'-P energy: -75.784 bonds (distance) P-C4' energy: -69.428 flat angles C4'-P-C4' energy: -78.357 flat angles P-C4'-P energy: -53.926 tors. eta vs tors. theta energy: -66.381 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: 1 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -760.213889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.213889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.213889 (E_RNA) where: Base-Base interactions energy: -427.799 where: short stacking energy: -254.716 Base-Backbone interact. energy: -0.877 local terms energy: -331.537928 where: bonds (distance) C4'-P energy: -68.488 bonds (distance) P-C4' energy: -69.720 flat angles C4'-P-C4' energy: -77.255 flat angles P-C4'-P energy: -59.244 tors. eta vs tors. theta energy: -56.831 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: 5, replica: 10 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -820.503579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.503579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.503579 (E_RNA) where: Base-Base interactions energy: -516.488 where: short stacking energy: -275.289 Base-Backbone interact. energy: -0.121 local terms energy: -303.894011 where: bonds (distance) C4'-P energy: -59.379 bonds (distance) P-C4' energy: -68.740 flat angles C4'-P-C4' energy: -69.743 flat angles P-C4'-P energy: -50.774 tors. eta vs tors. theta energy: -55.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -553.728277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.728277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.728277 (E_RNA) where: Base-Base interactions energy: -303.485 where: short stacking energy: -180.757 Base-Backbone interact. energy: 3.733 local terms energy: -253.976460 where: bonds (distance) C4'-P energy: -62.297 bonds (distance) P-C4' energy: -61.668 flat angles C4'-P-C4' energy: -69.254 flat angles P-C4'-P energy: -46.788 tors. eta vs tors. theta energy: -13.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -599.893658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.893658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.893658 (E_RNA) where: Base-Base interactions energy: -333.317 where: short stacking energy: -164.401 Base-Backbone interact. energy: -1.891 local terms energy: -264.685082 where: bonds (distance) C4'-P energy: -54.978 bonds (distance) P-C4' energy: -73.508 flat angles C4'-P-C4' energy: -68.048 flat angles P-C4'-P energy: -39.956 tors. eta vs tors. theta energy: -28.194 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: 8 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -504.969311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.969311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.969311 (E_RNA) where: Base-Base interactions energy: -260.054 where: short stacking energy: -171.049 Base-Backbone interact. energy: 7.569 local terms energy: -252.485066 where: bonds (distance) C4'-P energy: -69.584 bonds (distance) P-C4' energy: -71.205 flat angles C4'-P-C4' energy: -63.558 flat angles P-C4'-P energy: -43.636 tors. eta vs tors. theta energy: -4.501 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: 7 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -385.704356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.704356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.704356 (E_RNA) where: Base-Base interactions energy: -149.002 where: short stacking energy: -115.205 Base-Backbone interact. energy: 4.844 local terms energy: -241.546378 where: bonds (distance) C4'-P energy: -66.558 bonds (distance) P-C4' energy: -74.073 flat angles C4'-P-C4' energy: -58.815 flat angles P-C4'-P energy: -43.619 tors. eta vs tors. theta energy: 1.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -351.005867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.005867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.005867 (E_RNA) where: Base-Base interactions energy: -140.481 where: short stacking energy: -103.127 Base-Backbone interact. energy: 1.104 local terms energy: -211.629208 where: bonds (distance) C4'-P energy: -49.525 bonds (distance) P-C4' energy: -69.521 flat angles C4'-P-C4' energy: -48.569 flat angles P-C4'-P energy: -39.694 tors. eta vs tors. theta energy: -4.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -962.283305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.283305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.283305 (E_RNA) where: Base-Base interactions energy: -606.072 where: short stacking energy: -288.200 Base-Backbone interact. energy: -3.344 local terms energy: -352.867534 where: bonds (distance) C4'-P energy: -88.276 bonds (distance) P-C4' energy: -71.659 flat angles C4'-P-C4' energy: -76.420 flat angles P-C4'-P energy: -41.516 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: 2, replica: 2 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -899.784764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.784764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.784764 (E_RNA) where: Base-Base interactions energy: -554.715 where: short stacking energy: -285.556 Base-Backbone interact. energy: -2.189 local terms energy: -342.880523 where: bonds (distance) C4'-P energy: -64.222 bonds (distance) P-C4' energy: -79.097 flat angles C4'-P-C4' energy: -87.587 flat angles P-C4'-P energy: -45.930 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: 3, replica: 3 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -776.550900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.550900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.550900 (E_RNA) where: Base-Base interactions energy: -459.787 where: short stacking energy: -258.232 Base-Backbone interact. energy: -0.184 local terms energy: -316.579641 where: bonds (distance) C4'-P energy: -63.931 bonds (distance) P-C4' energy: -76.226 flat angles C4'-P-C4' energy: -77.350 flat angles P-C4'-P energy: -36.156 tors. eta vs tors. theta energy: -62.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -904.631923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.631923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.631923 (E_RNA) where: Base-Base interactions energy: -563.553 where: short stacking energy: -294.325 Base-Backbone interact. energy: -1.398 local terms energy: -339.681517 where: bonds (distance) C4'-P energy: -69.619 bonds (distance) P-C4' energy: -74.900 flat angles C4'-P-C4' energy: -81.175 flat angles P-C4'-P energy: -53.338 tors. eta vs tors. theta energy: -60.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -701.784858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.784858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.784858 (E_RNA) where: Base-Base interactions energy: -419.300 where: short stacking energy: -232.012 Base-Backbone interact. energy: 0.403 local terms energy: -282.888389 where: bonds (distance) C4'-P energy: -68.900 bonds (distance) P-C4' energy: -64.109 flat angles C4'-P-C4' energy: -70.285 flat angles P-C4'-P energy: -34.884 tors. eta vs tors. theta energy: -44.709 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: 9 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -642.086765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.086765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.086765 (E_RNA) where: Base-Base interactions energy: -354.710 where: short stacking energy: -203.957 Base-Backbone interact. energy: 1.328 local terms energy: -288.704833 where: bonds (distance) C4'-P energy: -70.242 bonds (distance) P-C4' energy: -64.635 flat angles C4'-P-C4' energy: -78.601 flat angles P-C4'-P energy: -42.912 tors. eta vs tors. theta energy: -32.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -541.903920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.903920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.903920 (E_RNA) where: Base-Base interactions energy: -290.245 where: short stacking energy: -149.435 Base-Backbone interact. energy: -2.035 local terms energy: -249.623529 where: bonds (distance) C4'-P energy: -68.105 bonds (distance) P-C4' energy: -61.110 flat angles C4'-P-C4' energy: -73.478 flat angles P-C4'-P energy: -38.787 tors. eta vs tors. theta energy: -8.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -502.604307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.604307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.604307 (E_RNA) where: Base-Base interactions energy: -271.597 where: short stacking energy: -150.857 Base-Backbone interact. energy: 3.277 local terms energy: -234.284038 where: bonds (distance) C4'-P energy: -70.621 bonds (distance) P-C4' energy: -57.918 flat angles C4'-P-C4' energy: -60.231 flat angles P-C4'-P energy: -33.458 tors. eta vs tors. theta energy: -12.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -363.528020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.528020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.528020 (E_RNA) where: Base-Base interactions energy: -133.242 where: short stacking energy: -118.826 Base-Backbone interact. energy: -2.066 local terms energy: -228.220406 where: bonds (distance) C4'-P energy: -60.629 bonds (distance) P-C4' energy: -72.566 flat angles C4'-P-C4' energy: -50.110 flat angles P-C4'-P energy: -32.654 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: 10, replica: 6 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -341.761376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.761376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.761376 (E_RNA) where: Base-Base interactions energy: -107.648 where: short stacking energy: -92.068 Base-Backbone interact. energy: 1.803 local terms energy: -235.915948 where: bonds (distance) C4'-P energy: -87.573 bonds (distance) P-C4' energy: -75.462 flat angles C4'-P-C4' energy: -53.542 flat angles P-C4'-P energy: -24.199 tors. eta vs tors. theta energy: 4.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -953.083238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.083238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.083238 (E_RNA) where: Base-Base interactions energy: -589.120 where: short stacking energy: -281.363 Base-Backbone interact. energy: -2.476 local terms energy: -361.486477 where: bonds (distance) C4'-P energy: -79.451 bonds (distance) P-C4' energy: -76.230 flat angles C4'-P-C4' energy: -89.862 flat angles P-C4'-P energy: -44.065 tors. eta vs tors. theta energy: -71.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -906.579477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.579477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.579477 (E_RNA) where: Base-Base interactions energy: -547.382 where: short stacking energy: -273.298 Base-Backbone interact. energy: -0.890 local terms energy: -358.306710 where: bonds (distance) C4'-P energy: -79.593 bonds (distance) P-C4' energy: -81.837 flat angles C4'-P-C4' energy: -85.434 flat angles P-C4'-P energy: -49.418 tors. eta vs tors. theta energy: -62.026 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: 3, replica: 10 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -980.749416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.749416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.749416 (E_RNA) where: Base-Base interactions energy: -629.908 where: short stacking energy: -313.435 Base-Backbone interact. energy: 1.086 local terms energy: -351.927499 where: bonds (distance) C4'-P energy: -81.929 bonds (distance) P-C4' energy: -62.859 flat angles C4'-P-C4' energy: -79.957 flat angles P-C4'-P energy: -52.538 tors. eta vs tors. theta energy: -74.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -779.240585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.240585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.240585 (E_RNA) where: Base-Base interactions energy: -460.868 where: short stacking energy: -255.469 Base-Backbone interact. energy: 1.427 local terms energy: -319.798958 where: bonds (distance) C4'-P energy: -76.616 bonds (distance) P-C4' energy: -75.361 flat angles C4'-P-C4' energy: -75.766 flat angles P-C4'-P energy: -46.095 tors. eta vs tors. theta energy: -45.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -754.462468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.462468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.462468 (E_RNA) where: Base-Base interactions energy: -467.870 where: short stacking energy: -240.698 Base-Backbone interact. energy: 1.337 local terms energy: -287.929380 where: bonds (distance) C4'-P energy: -70.010 bonds (distance) P-C4' energy: -70.060 flat angles C4'-P-C4' energy: -63.894 flat angles P-C4'-P energy: -41.003 tors. eta vs tors. theta energy: -42.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -676.242806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.242806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.242806 (E_RNA) where: Base-Base interactions energy: -372.526 where: short stacking energy: -214.675 Base-Backbone interact. energy: 0.288 local terms energy: -304.005363 where: bonds (distance) C4'-P energy: -77.571 bonds (distance) P-C4' energy: -63.446 flat angles C4'-P-C4' energy: -71.759 flat angles P-C4'-P energy: -46.753 tors. eta vs tors. theta energy: -44.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -545.551057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.551057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.551057 (E_RNA) where: Base-Base interactions energy: -259.980 where: short stacking energy: -161.517 Base-Backbone interact. energy: 0.768 local terms energy: -286.339091 where: bonds (distance) C4'-P energy: -85.148 bonds (distance) P-C4' energy: -76.207 flat angles C4'-P-C4' energy: -69.109 flat angles P-C4'-P energy: -49.852 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: 8, replica: 5 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -541.735123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.735123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.735123 (E_RNA) where: Base-Base interactions energy: -299.834 where: short stacking energy: -142.696 Base-Backbone interact. energy: 0.061 local terms energy: -241.962443 where: bonds (distance) C4'-P energy: -66.739 bonds (distance) P-C4' energy: -67.353 flat angles C4'-P-C4' energy: -63.431 flat angles P-C4'-P energy: -26.453 tors. eta vs tors. theta energy: -17.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -366.163287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.163287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.163287 (E_RNA) where: Base-Base interactions energy: -134.618 where: short stacking energy: -122.854 Base-Backbone interact. energy: 0.805 local terms energy: -232.350428 where: bonds (distance) C4'-P energy: -72.354 bonds (distance) P-C4' energy: -69.691 flat angles C4'-P-C4' energy: -58.079 flat angles P-C4'-P energy: -32.984 tors. eta vs tors. theta energy: 0.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -361.244986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.244986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.244986 (E_RNA) where: Base-Base interactions energy: -147.094 where: short stacking energy: -124.474 Base-Backbone interact. energy: -1.642 local terms energy: -212.508785 where: bonds (distance) C4'-P energy: -63.085 bonds (distance) P-C4' energy: -64.811 flat angles C4'-P-C4' energy: -49.342 flat angles P-C4'-P energy: -38.189 tors. eta vs tors. theta energy: 2.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -935.601622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.601622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.601622 (E_RNA) where: Base-Base interactions energy: -598.868 where: short stacking energy: -301.573 Base-Backbone interact. energy: -1.269 local terms energy: -335.464460 where: bonds (distance) C4'-P energy: -76.828 bonds (distance) P-C4' energy: -75.874 flat angles C4'-P-C4' energy: -72.862 flat angles P-C4'-P energy: -40.190 tors. eta vs tors. theta energy: -69.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1053.090607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.090607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.090607 (E_RNA) where: Base-Base interactions energy: -708.553 where: short stacking energy: -311.180 Base-Backbone interact. energy: -0.733 local terms energy: -343.804327 where: bonds (distance) C4'-P energy: -70.678 bonds (distance) P-C4' energy: -84.814 flat angles C4'-P-C4' energy: -83.157 flat angles P-C4'-P energy: -46.821 tors. eta vs tors. theta energy: -58.334 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: 2 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -915.263529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.263529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.263529 (E_RNA) where: Base-Base interactions energy: -563.275 where: short stacking energy: -275.819 Base-Backbone interact. energy: -0.419 local terms energy: -351.570020 where: bonds (distance) C4'-P energy: -75.324 bonds (distance) P-C4' energy: -77.715 flat angles C4'-P-C4' energy: -75.515 flat angles P-C4'-P energy: -56.021 tors. eta vs tors. theta energy: -66.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -832.534387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.534387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.534387 (E_RNA) where: Base-Base interactions energy: -502.735 where: short stacking energy: -271.799 Base-Backbone interact. energy: -2.561 local terms energy: -327.238051 where: bonds (distance) C4'-P energy: -79.409 bonds (distance) P-C4' energy: -64.046 flat angles C4'-P-C4' energy: -75.826 flat angles P-C4'-P energy: -47.503 tors. eta vs tors. theta energy: -60.454 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: 5, replica: 3 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -802.050552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.050552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.050552 (E_RNA) where: Base-Base interactions energy: -485.326 where: short stacking energy: -254.045 Base-Backbone interact. energy: -1.197 local terms energy: -315.526950 where: bonds (distance) C4'-P energy: -71.404 bonds (distance) P-C4' energy: -75.652 flat angles C4'-P-C4' energy: -73.109 flat angles P-C4'-P energy: -45.551 tors. eta vs tors. theta energy: -49.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -711.067562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.067562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.067562 (E_RNA) where: Base-Base interactions energy: -375.074 where: short stacking energy: -214.521 Base-Backbone interact. energy: -0.572 local terms energy: -335.421983 where: bonds (distance) C4'-P energy: -67.439 bonds (distance) P-C4' energy: -82.935 flat angles C4'-P-C4' energy: -71.667 flat angles P-C4'-P energy: -58.042 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: 7, replica: 8 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -640.916197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.916197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.916197 (E_RNA) where: Base-Base interactions energy: -359.761 where: short stacking energy: -199.182 Base-Backbone interact. energy: 4.191 local terms energy: -285.345908 where: bonds (distance) C4'-P energy: -75.050 bonds (distance) P-C4' energy: -72.564 flat angles C4'-P-C4' energy: -73.183 flat angles P-C4'-P energy: -35.498 tors. eta vs tors. theta energy: -29.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -495.359790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.359790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.359790 (E_RNA) where: Base-Base interactions energy: -242.513 where: short stacking energy: -132.272 Base-Backbone interact. energy: -2.750 local terms energy: -250.096183 where: bonds (distance) C4'-P energy: -48.746 bonds (distance) P-C4' energy: -89.141 flat angles C4'-P-C4' energy: -66.245 flat angles P-C4'-P energy: -41.465 tors. eta vs tors. theta energy: -4.500 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: 9, replica: 6 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -361.772631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.772631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.772631 (E_RNA) where: Base-Base interactions energy: -134.341 where: short stacking energy: -110.893 Base-Backbone interact. energy: -0.385 local terms energy: -227.046206 where: bonds (distance) C4'-P energy: -71.823 bonds (distance) P-C4' energy: -75.196 flat angles C4'-P-C4' energy: -59.071 flat angles P-C4'-P energy: -27.293 tors. eta vs tors. theta energy: 6.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -339.468163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.468163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.468163 (E_RNA) where: Base-Base interactions energy: -133.309 where: short stacking energy: -112.453 Base-Backbone interact. energy: 1.848 local terms energy: -208.007172 where: bonds (distance) C4'-P energy: -68.129 bonds (distance) P-C4' energy: -74.225 flat angles C4'-P-C4' energy: -52.706 flat angles P-C4'-P energy: -26.343 tors. eta vs tors. theta energy: 13.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1148.989508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.989508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.989508 (E_RNA) where: Base-Base interactions energy: -785.589 where: short stacking energy: -350.180 Base-Backbone interact. energy: 6.049 local terms energy: -369.450145 where: bonds (distance) C4'-P energy: -71.257 bonds (distance) P-C4' energy: -83.035 flat angles C4'-P-C4' energy: -83.326 flat angles P-C4'-P energy: -57.004 tors. eta vs tors. theta energy: -74.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -916.195351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.195351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.195351 (E_RNA) where: Base-Base interactions energy: -553.423 where: short stacking energy: -282.644 Base-Backbone interact. energy: -0.426 local terms energy: -362.346593 where: bonds (distance) C4'-P energy: -72.206 bonds (distance) P-C4' energy: -82.886 flat angles C4'-P-C4' energy: -88.007 flat angles P-C4'-P energy: -43.032 tors. eta vs tors. theta energy: -76.215 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: 3, replica: 2 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -943.960070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.960070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.960070 (E_RNA) where: Base-Base interactions energy: -605.648 where: short stacking energy: -287.039 Base-Backbone interact. energy: -0.524 local terms energy: -337.788464 where: bonds (distance) C4'-P energy: -71.104 bonds (distance) P-C4' energy: -70.467 flat angles C4'-P-C4' energy: -80.913 flat angles P-C4'-P energy: -46.162 tors. eta vs tors. theta energy: -69.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -870.952720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.952720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.952720 (E_RNA) where: Base-Base interactions energy: -525.201 where: short stacking energy: -256.637 Base-Backbone interact. energy: -2.303 local terms energy: -343.448309 where: bonds (distance) C4'-P energy: -80.095 bonds (distance) P-C4' energy: -77.025 flat angles C4'-P-C4' energy: -84.290 flat angles P-C4'-P energy: -47.499 tors. eta vs tors. theta energy: -54.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -742.448743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.448743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.448743 (E_RNA) where: Base-Base interactions energy: -438.218 where: short stacking energy: -240.764 Base-Backbone interact. energy: -0.834 local terms energy: -303.396719 where: bonds (distance) C4'-P energy: -73.608 bonds (distance) P-C4' energy: -60.362 flat angles C4'-P-C4' energy: -79.210 flat angles P-C4'-P energy: -43.504 tors. eta vs tors. theta energy: -46.713 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: 14 Temperature: 1.150000 Total energy: -722.349752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.349752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.349752 (E_RNA) where: Base-Base interactions energy: -428.396 where: short stacking energy: -216.667 Base-Backbone interact. energy: 2.211 local terms energy: -296.165104 where: bonds (distance) C4'-P energy: -61.912 bonds (distance) P-C4' energy: -76.262 flat angles C4'-P-C4' energy: -77.958 flat angles P-C4'-P energy: -42.736 tors. eta vs tors. theta energy: -37.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -687.548081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.548081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.548081 (E_RNA) where: Base-Base interactions energy: -408.735 where: short stacking energy: -216.303 Base-Backbone interact. energy: -2.348 local terms energy: -276.465262 where: bonds (distance) C4'-P energy: -68.096 bonds (distance) P-C4' energy: -74.465 flat angles C4'-P-C4' energy: -68.983 flat angles P-C4'-P energy: -45.204 tors. eta vs tors. theta energy: -19.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -457.847909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.847909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.847909 (E_RNA) where: Base-Base interactions energy: -237.169 where: short stacking energy: -130.709 Base-Backbone interact. energy: -2.095 local terms energy: -218.583583 where: bonds (distance) C4'-P energy: -56.275 bonds (distance) P-C4' energy: -67.684 flat angles C4'-P-C4' energy: -51.400 flat angles P-C4'-P energy: -37.707 tors. eta vs tors. theta energy: -5.518 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: 7 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -361.942175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.942175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.942175 (E_RNA) where: Base-Base interactions energy: -141.848 where: short stacking energy: -105.449 Base-Backbone interact. energy: -0.602 local terms energy: -219.492259 where: bonds (distance) C4'-P energy: -67.546 bonds (distance) P-C4' energy: -63.661 flat angles C4'-P-C4' energy: -58.486 flat angles P-C4'-P energy: -40.152 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: 6 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -342.492923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.492923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.492923 (E_RNA) where: Base-Base interactions energy: -117.040 where: short stacking energy: -103.143 Base-Backbone interact. energy: -0.701 local terms energy: -224.752352 where: bonds (distance) C4'-P energy: -61.156 bonds (distance) P-C4' energy: -77.340 flat angles C4'-P-C4' energy: -57.373 flat angles P-C4'-P energy: -40.911 tors. eta vs tors. theta energy: 12.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1151.539630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.539630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.539630 (E_RNA) where: Base-Base interactions energy: -783.581 where: short stacking energy: -323.113 Base-Backbone interact. energy: -2.576 local terms energy: -365.382275 where: bonds (distance) C4'-P energy: -68.898 bonds (distance) P-C4' energy: -86.309 flat angles C4'-P-C4' energy: -75.969 flat angles P-C4'-P energy: -57.880 tors. eta vs tors. theta energy: -76.327 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: 2 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -970.182614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.182614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.182614 (E_RNA) where: Base-Base interactions energy: -613.651 where: short stacking energy: -321.339 Base-Backbone interact. energy: -2.335 local terms energy: -354.196501 where: bonds (distance) C4'-P energy: -67.597 bonds (distance) P-C4' energy: -75.783 flat angles C4'-P-C4' energy: -83.304 flat angles P-C4'-P energy: -48.818 tors. eta vs tors. theta energy: -78.695 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: 4 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -891.761426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.761426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.761426 (E_RNA) where: Base-Base interactions energy: -553.583 where: short stacking energy: -276.929 Base-Backbone interact. energy: -1.772 local terms energy: -336.405920 where: bonds (distance) C4'-P energy: -74.768 bonds (distance) P-C4' energy: -85.627 flat angles C4'-P-C4' energy: -78.754 flat angles P-C4'-P energy: -50.213 tors. eta vs tors. theta energy: -47.043 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: 9 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -913.185901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.185901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.185901 (E_RNA) where: Base-Base interactions energy: -583.568 where: short stacking energy: -302.511 Base-Backbone interact. energy: -0.369 local terms energy: -329.248913 where: bonds (distance) C4'-P energy: -64.257 bonds (distance) P-C4' energy: -73.828 flat angles C4'-P-C4' energy: -77.639 flat angles P-C4'-P energy: -42.548 tors. eta vs tors. theta energy: -70.977 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: 1 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -803.659496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.659496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.659496 (E_RNA) where: Base-Base interactions energy: -484.495 where: short stacking energy: -253.807 Base-Backbone interact. energy: 3.775 local terms energy: -322.938768 where: bonds (distance) C4'-P energy: -60.251 bonds (distance) P-C4' energy: -78.168 flat angles C4'-P-C4' energy: -75.156 flat angles P-C4'-P energy: -56.981 tors. eta vs tors. theta energy: -52.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -710.727269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.727269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.727269 (E_RNA) where: Base-Base interactions energy: -429.521 where: short stacking energy: -234.308 Base-Backbone interact. energy: -2.751 local terms energy: -278.455817 where: bonds (distance) C4'-P energy: -63.046 bonds (distance) P-C4' energy: -74.270 flat angles C4'-P-C4' energy: -54.516 flat angles P-C4'-P energy: -48.173 tors. eta vs tors. theta energy: -38.451 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: 7, replica: 3 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -575.399893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.399893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.399893 (E_RNA) where: Base-Base interactions energy: -308.309 where: short stacking energy: -166.308 Base-Backbone interact. energy: -1.269 local terms energy: -265.821885 where: bonds (distance) C4'-P energy: -73.940 bonds (distance) P-C4' energy: -71.281 flat angles C4'-P-C4' energy: -63.256 flat angles P-C4'-P energy: -36.812 tors. eta vs tors. theta energy: -20.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -446.396777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.396777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.396777 (E_RNA) where: Base-Base interactions energy: -203.086 where: short stacking energy: -132.893 Base-Backbone interact. energy: 0.659 local terms energy: -243.970100 where: bonds (distance) C4'-P energy: -77.579 bonds (distance) P-C4' energy: -73.009 flat angles C4'-P-C4' energy: -44.858 flat angles P-C4'-P energy: -48.484 tors. eta vs tors. theta energy: -0.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -396.487392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.487392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.487392 (E_RNA) where: Base-Base interactions energy: -145.404 where: short stacking energy: -127.293 Base-Backbone interact. energy: 0.037 local terms energy: -251.120372 where: bonds (distance) C4'-P energy: -78.937 bonds (distance) P-C4' energy: -63.474 flat angles C4'-P-C4' energy: -57.756 flat angles P-C4'-P energy: -44.261 tors. eta vs tors. theta energy: -6.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -333.042427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.042427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.042427 (E_RNA) where: Base-Base interactions energy: -123.059 where: short stacking energy: -113.022 Base-Backbone interact. energy: 1.021 local terms energy: -211.003771 where: bonds (distance) C4'-P energy: -76.115 bonds (distance) P-C4' energy: -55.579 flat angles C4'-P-C4' energy: -47.287 flat angles P-C4'-P energy: -34.597 tors. eta vs tors. theta energy: 2.574 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: 16 Temperature: 0.900000 Total energy: -1125.490547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.490547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.490547 (E_RNA) where: Base-Base interactions energy: -751.795 where: short stacking energy: -352.500 Base-Backbone interact. energy: 1.726 local terms energy: -375.421581 where: bonds (distance) C4'-P energy: -74.205 bonds (distance) P-C4' energy: -84.831 flat angles C4'-P-C4' energy: -85.495 flat angles P-C4'-P energy: -54.110 tors. eta vs tors. theta energy: -76.781 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: 2 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -959.868630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.868630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.868630 (E_RNA) where: Base-Base interactions energy: -598.174 where: short stacking energy: -330.771 Base-Backbone interact. energy: -0.987 local terms energy: -360.708120 where: bonds (distance) C4'-P energy: -82.178 bonds (distance) P-C4' energy: -79.567 flat angles C4'-P-C4' energy: -74.131 flat angles P-C4'-P energy: -43.426 tors. eta vs tors. theta energy: -81.406 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: 3, replica: 9 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -949.418061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.418061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.418061 (E_RNA) where: Base-Base interactions energy: -598.643 where: short stacking energy: -307.698 Base-Backbone interact. energy: -1.553 local terms energy: -349.221230 where: bonds (distance) C4'-P energy: -66.385 bonds (distance) P-C4' energy: -76.033 flat angles C4'-P-C4' energy: -81.846 flat angles P-C4'-P energy: -57.694 tors. eta vs tors. theta energy: -67.263 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: 4 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -857.850213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.850213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.850213 (E_RNA) where: Base-Base interactions energy: -525.390 where: short stacking energy: -268.718 Base-Backbone interact. energy: -0.989 local terms energy: -331.471610 where: bonds (distance) C4'-P energy: -71.413 bonds (distance) P-C4' energy: -84.227 flat angles C4'-P-C4' energy: -79.400 flat angles P-C4'-P energy: -38.684 tors. eta vs tors. theta energy: -57.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -835.245470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.245470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.245470 (E_RNA) where: Base-Base interactions energy: -507.741 where: short stacking energy: -256.760 Base-Backbone interact. energy: -0.715 local terms energy: -326.789301 where: bonds (distance) C4'-P energy: -69.477 bonds (distance) P-C4' energy: -67.202 flat angles C4'-P-C4' energy: -78.164 flat angles P-C4'-P energy: -49.734 tors. eta vs tors. theta energy: -62.213 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: 8 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -725.489972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.489972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.489972 (E_RNA) where: Base-Base interactions energy: -427.775 where: short stacking energy: -225.502 Base-Backbone interact. energy: -0.280 local terms energy: -297.434599 where: bonds (distance) C4'-P energy: -67.988 bonds (distance) P-C4' energy: -70.891 flat angles C4'-P-C4' energy: -73.134 flat angles P-C4'-P energy: -53.042 tors. eta vs tors. theta energy: -32.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -537.192704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.192704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.192704 (E_RNA) where: Base-Base interactions energy: -270.519 where: short stacking energy: -139.940 Base-Backbone interact. energy: -3.039 local terms energy: -263.634524 where: bonds (distance) C4'-P energy: -66.411 bonds (distance) P-C4' energy: -77.403 flat angles C4'-P-C4' energy: -73.789 flat angles P-C4'-P energy: -37.452 tors. eta vs tors. theta energy: -8.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -450.776164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.776164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.776164 (E_RNA) where: Base-Base interactions energy: -192.292 where: short stacking energy: -139.347 Base-Backbone interact. energy: 1.380 local terms energy: -259.864899 where: bonds (distance) C4'-P energy: -73.787 bonds (distance) P-C4' energy: -62.850 flat angles C4'-P-C4' energy: -70.889 flat angles P-C4'-P energy: -49.444 tors. eta vs tors. theta energy: -2.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -364.380314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.380314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.380314 (E_RNA) where: Base-Base interactions energy: -125.339 where: short stacking energy: -111.253 Base-Backbone interact. energy: -0.984 local terms energy: -238.056673 where: bonds (distance) C4'-P energy: -70.118 bonds (distance) P-C4' energy: -78.607 flat angles C4'-P-C4' energy: -46.400 flat angles P-C4'-P energy: -53.178 tors. eta vs tors. theta energy: 10.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -382.867765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.867765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.867765 (E_RNA) where: Base-Base interactions energy: -147.381 where: short stacking energy: -122.779 Base-Backbone interact. energy: -1.055 local terms energy: -234.431753 where: bonds (distance) C4'-P energy: -67.754 bonds (distance) P-C4' energy: -72.900 flat angles C4'-P-C4' energy: -46.824 flat angles P-C4'-P energy: -40.119 tors. eta vs tors. theta energy: -6.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1154.817414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.817414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.817414 (E_RNA) where: Base-Base interactions energy: -791.260 where: short stacking energy: -355.620 Base-Backbone interact. energy: -4.649 local terms energy: -358.909008 where: bonds (distance) C4'-P energy: -67.153 bonds (distance) P-C4' energy: -79.316 flat angles C4'-P-C4' energy: -82.192 flat angles P-C4'-P energy: -55.105 tors. eta vs tors. theta energy: -75.143 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: 17 Temperature: 0.950000 Total energy: -993.283377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.283377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.283377 (E_RNA) where: Base-Base interactions energy: -625.064 where: short stacking energy: -328.329 Base-Backbone interact. energy: 0.285 local terms energy: -368.504169 where: bonds (distance) C4'-P energy: -72.801 bonds (distance) P-C4' energy: -73.056 flat angles C4'-P-C4' energy: -86.377 flat angles P-C4'-P energy: -52.531 tors. eta vs tors. theta energy: -83.739 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: 3, replica: 9 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1002.466685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.466685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.466685 (E_RNA) where: Base-Base interactions energy: -632.702 where: short stacking energy: -319.829 Base-Backbone interact. energy: -0.903 local terms energy: -368.860821 where: bonds (distance) C4'-P energy: -76.058 bonds (distance) P-C4' energy: -76.862 flat angles C4'-P-C4' energy: -78.733 flat angles P-C4'-P energy: -61.191 tors. eta vs tors. theta energy: -76.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -819.239488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.239488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.239488 (E_RNA) where: Base-Base interactions energy: -489.509 where: short stacking energy: -267.440 Base-Backbone interact. energy: -0.793 local terms energy: -328.937749 where: bonds (distance) C4'-P energy: -67.025 bonds (distance) P-C4' energy: -77.848 flat angles C4'-P-C4' energy: -83.387 flat angles P-C4'-P energy: -51.915 tors. eta vs tors. theta energy: -48.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -738.018852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.018852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.018852 (E_RNA) where: Base-Base interactions energy: -427.284 where: short stacking energy: -216.488 Base-Backbone interact. energy: -0.962 local terms energy: -309.773492 where: bonds (distance) C4'-P energy: -74.674 bonds (distance) P-C4' energy: -77.362 flat angles C4'-P-C4' energy: -71.243 flat angles P-C4'-P energy: -43.489 tors. eta vs tors. theta energy: -43.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -680.402702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.402702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.402702 (E_RNA) where: Base-Base interactions energy: -406.592 where: short stacking energy: -221.098 Base-Backbone interact. energy: 0.330 local terms energy: -274.141268 where: bonds (distance) C4'-P energy: -61.869 bonds (distance) P-C4' energy: -72.157 flat angles C4'-P-C4' energy: -65.740 flat angles P-C4'-P energy: -42.943 tors. eta vs tors. theta energy: -31.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -588.966212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.966212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.966212 (E_RNA) where: Base-Base interactions energy: -311.032 where: short stacking energy: -183.263 Base-Backbone interact. energy: -1.440 local terms energy: -276.494310 where: bonds (distance) C4'-P energy: -61.866 bonds (distance) P-C4' energy: -75.432 flat angles C4'-P-C4' energy: -68.292 flat angles P-C4'-P energy: -43.140 tors. eta vs tors. theta energy: -27.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -446.390066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.390066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.390066 (E_RNA) where: Base-Base interactions energy: -198.447 where: short stacking energy: -138.567 Base-Backbone interact. energy: -0.788 local terms energy: -247.154808 where: bonds (distance) C4'-P energy: -62.186 bonds (distance) P-C4' energy: -64.027 flat angles C4'-P-C4' energy: -74.003 flat angles P-C4'-P energy: -32.152 tors. eta vs tors. theta energy: -14.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -372.710942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.710942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.710942 (E_RNA) where: Base-Base interactions energy: -128.385 where: short stacking energy: -111.178 Base-Backbone interact. energy: 1.364 local terms energy: -245.689495 where: bonds (distance) C4'-P energy: -68.543 bonds (distance) P-C4' energy: -75.666 flat angles C4'-P-C4' energy: -59.861 flat angles P-C4'-P energy: -37.771 tors. eta vs tors. theta energy: -3.849 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: 7 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -347.540389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.540389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.540389 (E_RNA) where: Base-Base interactions energy: -140.083 where: short stacking energy: -129.994 Base-Backbone interact. energy: -0.844 local terms energy: -206.613139 where: bonds (distance) C4'-P energy: -69.348 bonds (distance) P-C4' energy: -58.587 flat angles C4'-P-C4' energy: -47.633 flat angles P-C4'-P energy: -28.253 tors. eta vs tors. theta energy: -2.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1134.050315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.050315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.050315 (E_RNA) where: Base-Base interactions energy: -760.511 where: short stacking energy: -349.889 Base-Backbone interact. energy: 0.417 local terms energy: -373.956606 where: bonds (distance) C4'-P energy: -71.563 bonds (distance) P-C4' energy: -78.461 flat angles C4'-P-C4' energy: -84.908 flat angles P-C4'-P energy: -57.531 tors. eta vs tors. theta energy: -81.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -988.452639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.452639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.452639 (E_RNA) where: Base-Base interactions energy: -633.013 where: short stacking energy: -321.022 Base-Backbone interact. energy: -2.007 local terms energy: -353.431908 where: bonds (distance) C4'-P energy: -77.842 bonds (distance) P-C4' energy: -76.762 flat angles C4'-P-C4' energy: -82.381 flat angles P-C4'-P energy: -40.409 tors. eta vs tors. theta energy: -76.037 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: 3, replica: 9 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1033.742067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.742067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.742067 (E_RNA) where: Base-Base interactions energy: -655.598 where: short stacking energy: -312.348 Base-Backbone interact. energy: -5.449 local terms energy: -372.694303 where: bonds (distance) C4'-P energy: -82.924 bonds (distance) P-C4' energy: -71.367 flat angles C4'-P-C4' energy: -82.330 flat angles P-C4'-P energy: -51.586 tors. eta vs tors. theta energy: -84.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -901.756734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.756734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.756734 (E_RNA) where: Base-Base interactions energy: -551.664 where: short stacking energy: -264.230 Base-Backbone interact. energy: -1.875 local terms energy: -348.218142 where: bonds (distance) C4'-P energy: -78.137 bonds (distance) P-C4' energy: -82.141 flat angles C4'-P-C4' energy: -68.290 flat angles P-C4'-P energy: -55.874 tors. eta vs tors. theta energy: -63.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -731.693784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.693784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.693784 (E_RNA) where: Base-Base interactions energy: -429.241 where: short stacking energy: -238.423 Base-Backbone interact. energy: -2.464 local terms energy: -299.988576 where: bonds (distance) C4'-P energy: -55.278 bonds (distance) P-C4' energy: -88.148 flat angles C4'-P-C4' energy: -75.596 flat angles P-C4'-P energy: -43.534 tors. eta vs tors. theta energy: -37.432 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: 4 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -619.759549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.759549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.759549 (E_RNA) where: Base-Base interactions energy: -350.033 where: short stacking energy: -199.090 Base-Backbone interact. energy: 1.654 local terms energy: -271.380364 where: bonds (distance) C4'-P energy: -65.914 bonds (distance) P-C4' energy: -73.216 flat angles C4'-P-C4' energy: -57.227 flat angles P-C4'-P energy: -35.419 tors. eta vs tors. theta energy: -39.605 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: 3 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -563.676538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.676538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.676538 (E_RNA) where: Base-Base interactions energy: -322.671 where: short stacking energy: -178.380 Base-Backbone interact. energy: 0.955 local terms energy: -241.960146 where: bonds (distance) C4'-P energy: -72.110 bonds (distance) P-C4' energy: -60.262 flat angles C4'-P-C4' energy: -51.367 flat angles P-C4'-P energy: -34.924 tors. eta vs tors. theta energy: -23.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -434.009565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.009565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.009565 (E_RNA) where: Base-Base interactions energy: -192.552 where: short stacking energy: -138.628 Base-Backbone interact. energy: 1.180 local terms energy: -242.637086 where: bonds (distance) C4'-P energy: -65.370 bonds (distance) P-C4' energy: -69.932 flat angles C4'-P-C4' energy: -66.877 flat angles P-C4'-P energy: -30.208 tors. eta vs tors. theta energy: -10.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -345.827172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -345.827172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -345.827172 (E_RNA) where: Base-Base interactions energy: -139.544 where: short stacking energy: -83.828 Base-Backbone interact. energy: -0.259 local terms energy: -206.024680 where: bonds (distance) C4'-P energy: -65.202 bonds (distance) P-C4' energy: -61.036 flat angles C4'-P-C4' energy: -74.769 flat angles P-C4'-P energy: -23.914 tors. eta vs tors. theta energy: 18.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -330.580633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.580633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.580633 (E_RNA) where: Base-Base interactions energy: -105.060 where: short stacking energy: -91.157 Base-Backbone interact. energy: -1.888 local terms energy: -223.632331 where: bonds (distance) C4'-P energy: -71.595 bonds (distance) P-C4' energy: -68.735 flat angles C4'-P-C4' energy: -63.437 flat angles P-C4'-P energy: -32.137 tors. eta vs tors. theta energy: 12.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1193.626847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.626847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.626847 (E_RNA) where: Base-Base interactions energy: -778.548 where: short stacking energy: -349.174 Base-Backbone interact. energy: -4.766 local terms energy: -410.312003 where: bonds (distance) C4'-P energy: -92.102 bonds (distance) P-C4' energy: -76.920 flat angles C4'-P-C4' energy: -91.632 flat angles P-C4'-P energy: -61.706 tors. eta vs tors. theta energy: -87.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1097.614942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.614942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.614942 (E_RNA) where: Base-Base interactions energy: -690.063 where: short stacking energy: -325.255 Base-Backbone interact. energy: -1.545 local terms energy: -406.006481 where: bonds (distance) C4'-P energy: -83.554 bonds (distance) P-C4' energy: -79.556 flat angles C4'-P-C4' energy: -86.749 flat angles P-C4'-P energy: -65.254 tors. eta vs tors. theta energy: -90.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -952.079943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.079943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.079943 (E_RNA) where: Base-Base interactions energy: -597.914 where: short stacking energy: -293.979 Base-Backbone interact. energy: -3.267 local terms energy: -350.898481 where: bonds (distance) C4'-P energy: -66.626 bonds (distance) P-C4' energy: -72.637 flat angles C4'-P-C4' energy: -81.879 flat angles P-C4'-P energy: -49.410 tors. eta vs tors. theta energy: -80.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -917.070564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.070564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.070564 (E_RNA) where: Base-Base interactions energy: -569.729 where: short stacking energy: -308.672 Base-Backbone interact. energy: -0.631 local terms energy: -346.710747 where: bonds (distance) C4'-P energy: -61.870 bonds (distance) P-C4' energy: -75.322 flat angles C4'-P-C4' energy: -82.728 flat angles P-C4'-P energy: -51.604 tors. eta vs tors. theta energy: -75.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -707.653690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.653690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.653690 (E_RNA) where: Base-Base interactions energy: -397.667 where: short stacking energy: -218.149 Base-Backbone interact. energy: -0.706 local terms energy: -309.280889 where: bonds (distance) C4'-P energy: -65.845 bonds (distance) P-C4' energy: -73.636 flat angles C4'-P-C4' energy: -69.775 flat angles P-C4'-P energy: -53.854 tors. eta vs tors. theta energy: -46.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -621.212151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.212151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.212151 (E_RNA) where: Base-Base interactions energy: -347.158 where: short stacking energy: -183.047 Base-Backbone interact. energy: -1.299 local terms energy: -272.755716 where: bonds (distance) C4'-P energy: -69.664 bonds (distance) P-C4' energy: -67.397 flat angles C4'-P-C4' energy: -74.424 flat angles P-C4'-P energy: -43.020 tors. eta vs tors. theta energy: -18.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -489.661379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.661379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.661379 (E_RNA) where: Base-Base interactions energy: -231.362 where: short stacking energy: -169.249 Base-Backbone interact. energy: 0.752 local terms energy: -259.051535 where: bonds (distance) C4'-P energy: -70.673 bonds (distance) P-C4' energy: -64.221 flat angles C4'-P-C4' energy: -69.690 flat angles P-C4'-P energy: -40.084 tors. eta vs tors. theta energy: -14.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -470.965329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.965329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.965329 (E_RNA) where: Base-Base interactions energy: -212.775 where: short stacking energy: -125.535 Base-Backbone interact. energy: -0.670 local terms energy: -257.519713 where: bonds (distance) C4'-P energy: -72.535 bonds (distance) P-C4' energy: -81.418 flat angles C4'-P-C4' energy: -53.811 flat angles P-C4'-P energy: -38.295 tors. eta vs tors. theta energy: -11.460 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: 7 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -379.433352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.433352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.433352 (E_RNA) where: Base-Base interactions energy: -152.760 where: short stacking energy: -127.287 Base-Backbone interact. energy: -0.916 local terms energy: -225.757451 where: bonds (distance) C4'-P energy: -57.950 bonds (distance) P-C4' energy: -64.727 flat angles C4'-P-C4' energy: -65.238 flat angles P-C4'-P energy: -29.128 tors. eta vs tors. theta energy: -8.714 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: 10, replica: 6 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -334.272553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.272553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.272553 (E_RNA) where: Base-Base interactions energy: -124.493 where: short stacking energy: -106.540 Base-Backbone interact. energy: -2.536 local terms energy: -207.243201 where: bonds (distance) C4'-P energy: -60.172 bonds (distance) P-C4' energy: -72.411 flat angles C4'-P-C4' energy: -52.520 flat angles P-C4'-P energy: -37.013 tors. eta vs tors. theta energy: 14.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1187.384305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.384305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.384305 (E_RNA) where: Base-Base interactions energy: -817.968 where: short stacking energy: -345.680 Base-Backbone interact. energy: -4.417 local terms energy: -365.000183 where: bonds (distance) C4'-P energy: -75.540 bonds (distance) P-C4' energy: -68.845 flat angles C4'-P-C4' energy: -88.743 flat angles P-C4'-P energy: -51.192 tors. eta vs tors. theta energy: -80.680 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: 9 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1133.176779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.176779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.176779 (E_RNA) where: Base-Base interactions energy: -722.895 where: short stacking energy: -323.944 Base-Backbone interact. energy: 0.031 local terms energy: -410.312337 where: bonds (distance) C4'-P energy: -79.311 bonds (distance) P-C4' energy: -85.712 flat angles C4'-P-C4' energy: -89.078 flat angles P-C4'-P energy: -60.663 tors. eta vs tors. theta energy: -95.548 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: 2 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -965.217091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.217091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.217091 (E_RNA) where: Base-Base interactions energy: -613.236 where: short stacking energy: -291.935 Base-Backbone interact. energy: -1.570 local terms energy: -350.411111 where: bonds (distance) C4'-P energy: -75.224 bonds (distance) P-C4' energy: -73.411 flat angles C4'-P-C4' energy: -81.697 flat angles P-C4'-P energy: -48.154 tors. eta vs tors. theta energy: -71.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -977.891343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.891343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.891343 (E_RNA) where: Base-Base interactions energy: -611.537 where: short stacking energy: -333.468 Base-Backbone interact. energy: -1.317 local terms energy: -365.037002 where: bonds (distance) C4'-P energy: -71.069 bonds (distance) P-C4' energy: -66.523 flat angles C4'-P-C4' energy: -82.203 flat angles P-C4'-P energy: -50.512 tors. eta vs tors. theta energy: -94.730 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: 8 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -729.345342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.345342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.345342 (E_RNA) where: Base-Base interactions energy: -421.741 where: short stacking energy: -229.038 Base-Backbone interact. energy: 2.949 local terms energy: -310.553477 where: bonds (distance) C4'-P energy: -74.069 bonds (distance) P-C4' energy: -69.533 flat angles C4'-P-C4' energy: -73.297 flat angles P-C4'-P energy: -46.647 tors. eta vs tors. theta energy: -47.007 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: 3 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -702.467054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.467054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.467054 (E_RNA) where: Base-Base interactions energy: -398.261 where: short stacking energy: -231.818 Base-Backbone interact. energy: -2.658 local terms energy: -301.547542 where: bonds (distance) C4'-P energy: -74.309 bonds (distance) P-C4' energy: -72.548 flat angles C4'-P-C4' energy: -74.618 flat angles P-C4'-P energy: -45.585 tors. eta vs tors. theta energy: -34.487 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: 5 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -585.219815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.219815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.219815 (E_RNA) where: Base-Base interactions energy: -332.962 where: short stacking energy: -206.998 Base-Backbone interact. energy: -0.069 local terms energy: -252.188745 where: bonds (distance) C4'-P energy: -51.099 bonds (distance) P-C4' energy: -60.851 flat angles C4'-P-C4' energy: -69.138 flat angles P-C4'-P energy: -40.614 tors. eta vs tors. theta energy: -30.486 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: 4 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -444.764046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.764046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.764046 (E_RNA) where: Base-Base interactions energy: -200.586 where: short stacking energy: -126.835 Base-Backbone interact. energy: 0.059 local terms energy: -244.237197 where: bonds (distance) C4'-P energy: -79.328 bonds (distance) P-C4' energy: -78.459 flat angles C4'-P-C4' energy: -58.734 flat angles P-C4'-P energy: -31.364 tors. eta vs tors. theta energy: 3.649 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: 6 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -346.491247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.491247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.491247 (E_RNA) where: Base-Base interactions energy: -114.288 where: short stacking energy: -100.799 Base-Backbone interact. energy: 0.598 local terms energy: -232.801402 where: bonds (distance) C4'-P energy: -72.320 bonds (distance) P-C4' energy: -63.145 flat angles C4'-P-C4' energy: -65.613 flat angles P-C4'-P energy: -41.440 tors. eta vs tors. theta energy: 9.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -318.604942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.604942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.604942 (E_RNA) where: Base-Base interactions energy: -104.301 where: short stacking energy: -99.090 Base-Backbone interact. energy: 1.014 local terms energy: -215.317708 where: bonds (distance) C4'-P energy: -67.654 bonds (distance) P-C4' energy: -64.110 flat angles C4'-P-C4' energy: -63.040 flat angles P-C4'-P energy: -29.382 tors. eta vs tors. theta energy: 8.868 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: 10 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1189.712436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.712436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.712436 (E_RNA) where: Base-Base interactions energy: -796.825 where: short stacking energy: -363.616 Base-Backbone interact. energy: -5.018 local terms energy: -387.869641 where: bonds (distance) C4'-P energy: -74.875 bonds (distance) P-C4' energy: -76.338 flat angles C4'-P-C4' energy: -91.724 flat angles P-C4'-P energy: -59.532 tors. eta vs tors. theta energy: -85.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1162.107084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.107084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.107084 (E_RNA) where: Base-Base interactions energy: -767.782 where: short stacking energy: -362.120 Base-Backbone interact. energy: -0.012 local terms energy: -394.312384 where: bonds (distance) C4'-P energy: -75.091 bonds (distance) P-C4' energy: -77.651 flat angles C4'-P-C4' energy: -90.608 flat angles P-C4'-P energy: -50.303 tors. eta vs tors. theta energy: -100.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1044.007157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.007157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.007157 (E_RNA) where: Base-Base interactions energy: -651.706 where: short stacking energy: -326.727 Base-Backbone interact. energy: -3.357 local terms energy: -388.943931 where: bonds (distance) C4'-P energy: -75.466 bonds (distance) P-C4' energy: -86.493 flat angles C4'-P-C4' energy: -85.317 flat angles P-C4'-P energy: -52.124 tors. eta vs tors. theta energy: -89.544 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: 1 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1005.738232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.738232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.738232 (E_RNA) where: Base-Base interactions energy: -639.249 where: short stacking energy: -338.127 Base-Backbone interact. energy: 0.933 local terms energy: -367.421662 where: bonds (distance) C4'-P energy: -79.402 bonds (distance) P-C4' energy: -78.230 flat angles C4'-P-C4' energy: -78.311 flat angles P-C4'-P energy: -40.315 tors. eta vs tors. theta energy: -91.164 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: 8 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -769.308605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.308605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.308605 (E_RNA) where: Base-Base interactions energy: -439.070 where: short stacking energy: -254.761 Base-Backbone interact. energy: -1.394 local terms energy: -328.845054 where: bonds (distance) C4'-P energy: -74.336 bonds (distance) P-C4' energy: -78.673 flat angles C4'-P-C4' energy: -71.556 flat angles P-C4'-P energy: -40.873 tors. eta vs tors. theta energy: -63.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -736.480183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.480183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.480183 (E_RNA) where: Base-Base interactions energy: -444.656 where: short stacking energy: -246.910 Base-Backbone interact. energy: 6.555 local terms energy: -298.379651 where: bonds (distance) C4'-P energy: -75.018 bonds (distance) P-C4' energy: -69.921 flat angles C4'-P-C4' energy: -63.325 flat angles P-C4'-P energy: -40.503 tors. eta vs tors. theta energy: -49.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -592.356202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.356202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.356202 (E_RNA) where: Base-Base interactions energy: -334.748 where: short stacking energy: -199.250 Base-Backbone interact. energy: -1.212 local terms energy: -256.395630 where: bonds (distance) C4'-P energy: -63.270 bonds (distance) P-C4' energy: -67.281 flat angles C4'-P-C4' energy: -57.451 flat angles P-C4'-P energy: -42.544 tors. eta vs tors. theta energy: -25.850 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: 8, replica: 4 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -492.507478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.507478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.507478 (E_RNA) where: Base-Base interactions energy: -231.679 where: short stacking energy: -167.417 Base-Backbone interact. energy: -2.623 local terms energy: -258.205730 where: bonds (distance) C4'-P energy: -71.065 bonds (distance) P-C4' energy: -62.356 flat angles C4'-P-C4' energy: -72.240 flat angles P-C4'-P energy: -27.425 tors. eta vs tors. theta energy: -25.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -356.536635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.536635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.536635 (E_RNA) where: Base-Base interactions energy: -133.534 where: short stacking energy: -97.791 Base-Backbone interact. energy: 6.595 local terms energy: -229.597478 where: bonds (distance) C4'-P energy: -70.975 bonds (distance) P-C4' energy: -61.585 flat angles C4'-P-C4' energy: -59.891 flat angles P-C4'-P energy: -46.778 tors. eta vs tors. theta energy: 9.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -340.872575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.872575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.872575 (E_RNA) where: Base-Base interactions energy: -134.408 where: short stacking energy: -107.326 Base-Backbone interact. energy: -1.328 local terms energy: -205.135901 where: bonds (distance) C4'-P energy: -64.775 bonds (distance) P-C4' energy: -53.943 flat angles C4'-P-C4' energy: -64.863 flat angles P-C4'-P energy: -40.603 tors. eta vs tors. theta energy: 19.048 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: 9 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1189.890669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.890669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.890669 (E_RNA) where: Base-Base interactions energy: -812.556 where: short stacking energy: -378.076 Base-Backbone interact. energy: -0.302 local terms energy: -377.033054 where: bonds (distance) C4'-P energy: -79.200 bonds (distance) P-C4' energy: -71.863 flat angles C4'-P-C4' energy: -76.643 flat angles P-C4'-P energy: -51.286 tors. eta vs tors. theta energy: -98.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1162.559412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.559412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.559412 (E_RNA) where: Base-Base interactions energy: -788.290 where: short stacking energy: -338.719 Base-Backbone interact. energy: -3.137 local terms energy: -371.132328 where: bonds (distance) C4'-P energy: -71.159 bonds (distance) P-C4' energy: -75.366 flat angles C4'-P-C4' energy: -89.556 flat angles P-C4'-P energy: -56.308 tors. eta vs tors. theta energy: -78.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1014.490118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.490118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.490118 (E_RNA) where: Base-Base interactions energy: -668.426 where: short stacking energy: -315.941 Base-Backbone interact. energy: -1.792 local terms energy: -344.271751 where: bonds (distance) C4'-P energy: -69.255 bonds (distance) P-C4' energy: -68.140 flat angles C4'-P-C4' energy: -84.351 flat angles P-C4'-P energy: -50.688 tors. eta vs tors. theta energy: -71.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -964.934458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.934458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.934458 (E_RNA) where: Base-Base interactions energy: -608.349 where: short stacking energy: -266.782 Base-Backbone interact. energy: 0.841 local terms energy: -357.427219 where: bonds (distance) C4'-P energy: -83.044 bonds (distance) P-C4' energy: -71.962 flat angles C4'-P-C4' energy: -71.092 flat angles P-C4'-P energy: -50.882 tors. eta vs tors. theta energy: -80.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -729.948142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.948142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.948142 (E_RNA) where: Base-Base interactions energy: -421.269 where: short stacking energy: -207.310 Base-Backbone interact. energy: -0.230 local terms energy: -308.449750 where: bonds (distance) C4'-P energy: -75.710 bonds (distance) P-C4' energy: -84.672 flat angles C4'-P-C4' energy: -75.084 flat angles P-C4'-P energy: -35.920 tors. eta vs tors. theta energy: -37.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -697.820708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.820708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.820708 (E_RNA) where: Base-Base interactions energy: -400.770 where: short stacking energy: -211.338 Base-Backbone interact. energy: -0.977 local terms energy: -296.073901 where: bonds (distance) C4'-P energy: -73.373 bonds (distance) P-C4' energy: -67.037 flat angles C4'-P-C4' energy: -77.873 flat angles P-C4'-P energy: -55.464 tors. eta vs tors. theta energy: -22.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -569.368559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.368559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.368559 (E_RNA) where: Base-Base interactions energy: -297.870 where: short stacking energy: -168.394 Base-Backbone interact. energy: 2.179 local terms energy: -273.677709 where: bonds (distance) C4'-P energy: -65.860 bonds (distance) P-C4' energy: -71.896 flat angles C4'-P-C4' energy: -67.482 flat angles P-C4'-P energy: -34.843 tors. eta vs tors. theta energy: -33.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -510.192799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.192799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.192799 (E_RNA) where: Base-Base interactions energy: -242.261 where: short stacking energy: -141.810 Base-Backbone interact. energy: 3.256 local terms energy: -271.187146 where: bonds (distance) C4'-P energy: -68.981 bonds (distance) P-C4' energy: -76.125 flat angles C4'-P-C4' energy: -63.765 flat angles P-C4'-P energy: -52.090 tors. eta vs tors. theta energy: -10.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -363.082000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.082000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.082000 (E_RNA) where: Base-Base interactions energy: -132.438 where: short stacking energy: -117.293 Base-Backbone interact. energy: -1.486 local terms energy: -229.157672 where: bonds (distance) C4'-P energy: -66.798 bonds (distance) P-C4' energy: -68.691 flat angles C4'-P-C4' energy: -67.231 flat angles P-C4'-P energy: -36.162 tors. eta vs tors. theta energy: 9.725 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: 6 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -336.631319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.631319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.631319 (E_RNA) where: Base-Base interactions energy: -134.348 where: short stacking energy: -111.358 Base-Backbone interact. energy: -1.281 local terms energy: -201.002315 where: bonds (distance) C4'-P energy: -57.381 bonds (distance) P-C4' energy: -64.937 flat angles C4'-P-C4' energy: -69.170 flat angles P-C4'-P energy: -23.836 tors. eta vs tors. theta energy: 14.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1176.646086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.646086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.646086 (E_RNA) where: Base-Base interactions energy: -786.086 where: short stacking energy: -356.226 Base-Backbone interact. energy: 0.393 local terms energy: -390.952297 where: bonds (distance) C4'-P energy: -85.749 bonds (distance) P-C4' energy: -87.329 flat angles C4'-P-C4' energy: -80.653 flat angles P-C4'-P energy: -52.253 tors. eta vs tors. theta energy: -84.968 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: 10 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1179.048161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.048161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.048161 (E_RNA) where: Base-Base interactions energy: -795.208 where: short stacking energy: -343.739 Base-Backbone interact. energy: -5.542 local terms energy: -378.297953 where: bonds (distance) C4'-P energy: -77.724 bonds (distance) P-C4' energy: -86.130 flat angles C4'-P-C4' energy: -83.164 flat angles P-C4'-P energy: -52.288 tors. eta vs tors. theta energy: -78.991 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: 3, replica: 2 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1013.533070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.533070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.533070 (E_RNA) where: Base-Base interactions energy: -668.651 where: short stacking energy: -310.824 Base-Backbone interact. energy: -2.399 local terms energy: -342.482900 where: bonds (distance) C4'-P energy: -73.465 bonds (distance) P-C4' energy: -79.888 flat angles C4'-P-C4' energy: -80.028 flat angles P-C4'-P energy: -33.997 tors. eta vs tors. theta energy: -75.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1021.934762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.934762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.934762 (E_RNA) where: Base-Base interactions energy: -657.746 where: short stacking energy: -298.684 Base-Backbone interact. energy: -1.616 local terms energy: -362.573557 where: bonds (distance) C4'-P energy: -65.947 bonds (distance) P-C4' energy: -82.812 flat angles C4'-P-C4' energy: -88.310 flat angles P-C4'-P energy: -50.583 tors. eta vs tors. theta energy: -74.922 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: 3 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -731.694660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.694660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.694660 (E_RNA) where: Base-Base interactions energy: -431.448 where: short stacking energy: -243.971 Base-Backbone interact. energy: -1.516 local terms energy: -298.731064 where: bonds (distance) C4'-P energy: -55.954 bonds (distance) P-C4' energy: -63.975 flat angles C4'-P-C4' energy: -80.109 flat angles P-C4'-P energy: -45.506 tors. eta vs tors. theta energy: -53.187 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: 8 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -807.523949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.523949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.523949 (E_RNA) where: Base-Base interactions energy: -481.872 where: short stacking energy: -243.965 Base-Backbone interact. energy: -1.916 local terms energy: -323.735446 where: bonds (distance) C4'-P energy: -71.752 bonds (distance) P-C4' energy: -68.555 flat angles C4'-P-C4' energy: -76.926 flat angles P-C4'-P energy: -53.960 tors. eta vs tors. theta energy: -52.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -565.844889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.844889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.844889 (E_RNA) where: Base-Base interactions energy: -280.677 where: short stacking energy: -174.515 Base-Backbone interact. energy: -0.798 local terms energy: -284.369759 where: bonds (distance) C4'-P energy: -79.838 bonds (distance) P-C4' energy: -68.241 flat angles C4'-P-C4' energy: -62.417 flat angles P-C4'-P energy: -47.005 tors. eta vs tors. theta energy: -26.870 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: 5 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -622.779969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.779969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.779969 (E_RNA) where: Base-Base interactions energy: -349.813 where: short stacking energy: -196.778 Base-Backbone interact. energy: -1.341 local terms energy: -271.625918 where: bonds (distance) C4'-P energy: -58.864 bonds (distance) P-C4' energy: -70.671 flat angles C4'-P-C4' energy: -66.649 flat angles P-C4'-P energy: -43.672 tors. eta vs tors. theta energy: -31.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -370.989403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.989403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.989403 (E_RNA) where: Base-Base interactions energy: -155.208 where: short stacking energy: -118.191 Base-Backbone interact. energy: -0.005 local terms energy: -215.776267 where: bonds (distance) C4'-P energy: -72.177 bonds (distance) P-C4' energy: -70.581 flat angles C4'-P-C4' energy: -47.298 flat angles P-C4'-P energy: -31.314 tors. eta vs tors. theta energy: 5.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -319.545939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.545939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.545939 (E_RNA) where: Base-Base interactions energy: -111.401 where: short stacking energy: -95.167 Base-Backbone interact. energy: 0.900 local terms energy: -209.045090 where: bonds (distance) C4'-P energy: -59.211 bonds (distance) P-C4' energy: -73.098 flat angles C4'-P-C4' energy: -42.336 flat angles P-C4'-P energy: -42.165 tors. eta vs tors. theta energy: 7.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1184.320726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.320726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.320726 (E_RNA) where: Base-Base interactions energy: -798.792 where: short stacking energy: -360.142 Base-Backbone interact. energy: -2.838 local terms energy: -382.690759 where: bonds (distance) C4'-P energy: -60.011 bonds (distance) P-C4' energy: -86.308 flat angles C4'-P-C4' energy: -89.552 flat angles P-C4'-P energy: -52.702 tors. eta vs tors. theta energy: -94.118 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: 24 Temperature: 0.950000 Total energy: -1162.614126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.614126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.614126 (E_RNA) where: Base-Base interactions energy: -787.000 where: short stacking energy: -335.911 Base-Backbone interact. energy: -0.961 local terms energy: -374.653467 where: bonds (distance) C4'-P energy: -83.347 bonds (distance) P-C4' energy: -77.854 flat angles C4'-P-C4' energy: -86.680 flat angles P-C4'-P energy: -52.238 tors. eta vs tors. theta energy: -74.535 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: 1 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1054.759040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.759040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.759040 (E_RNA) where: Base-Base interactions energy: -675.069 where: short stacking energy: -352.423 Base-Backbone interact. energy: -1.262 local terms energy: -378.428130 where: bonds (distance) C4'-P energy: -73.330 bonds (distance) P-C4' energy: -71.889 flat angles C4'-P-C4' energy: -80.677 flat angles P-C4'-P energy: -55.117 tors. eta vs tors. theta energy: -97.415 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: 4, replica: 2 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -948.136678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.136678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.136678 (E_RNA) where: Base-Base interactions energy: -606.171 where: short stacking energy: -304.955 Base-Backbone interact. energy: -1.910 local terms energy: -340.056325 where: bonds (distance) C4'-P energy: -75.076 bonds (distance) P-C4' energy: -71.502 flat angles C4'-P-C4' energy: -83.230 flat angles P-C4'-P energy: -40.515 tors. eta vs tors. theta energy: -69.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -858.832919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.832919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.832919 (E_RNA) where: Base-Base interactions energy: -540.719 where: short stacking energy: -261.989 Base-Backbone interact. energy: -2.969 local terms energy: -315.144677 where: bonds (distance) C4'-P energy: -67.953 bonds (distance) P-C4' energy: -72.942 flat angles C4'-P-C4' energy: -85.199 flat angles P-C4'-P energy: -40.344 tors. eta vs tors. theta energy: -48.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -722.409799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.409799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.409799 (E_RNA) where: Base-Base interactions energy: -420.573 where: short stacking energy: -209.423 Base-Backbone interact. energy: -3.803 local terms energy: -298.033989 where: bonds (distance) C4'-P energy: -68.958 bonds (distance) P-C4' energy: -74.125 flat angles C4'-P-C4' energy: -77.082 flat angles P-C4'-P energy: -42.765 tors. eta vs tors. theta energy: -35.105 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: 5 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -632.995319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.995319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.995319 (E_RNA) where: Base-Base interactions energy: -355.550 where: short stacking energy: -212.508 Base-Backbone interact. energy: 0.888 local terms energy: -278.333461 where: bonds (distance) C4'-P energy: -69.727 bonds (distance) P-C4' energy: -70.705 flat angles C4'-P-C4' energy: -68.813 flat angles P-C4'-P energy: -38.592 tors. eta vs tors. theta energy: -30.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -518.505512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.505512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.505512 (E_RNA) where: Base-Base interactions energy: -251.398 where: short stacking energy: -165.909 Base-Backbone interact. energy: -0.986 local terms energy: -266.120703 where: bonds (distance) C4'-P energy: -68.163 bonds (distance) P-C4' energy: -74.163 flat angles C4'-P-C4' energy: -59.417 flat angles P-C4'-P energy: -42.430 tors. eta vs tors. theta energy: -21.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -372.144627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.144627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.144627 (E_RNA) where: Base-Base interactions energy: -175.199 where: short stacking energy: -116.989 Base-Backbone interact. energy: -1.502 local terms energy: -195.443748 where: bonds (distance) C4'-P energy: -58.845 bonds (distance) P-C4' energy: -63.292 flat angles C4'-P-C4' energy: -44.902 flat angles P-C4'-P energy: -28.159 tors. eta vs tors. theta energy: -0.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -338.250387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.250387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.250387 (E_RNA) where: Base-Base interactions energy: -139.254 where: short stacking energy: -84.970 Base-Backbone interact. energy: 0.754 local terms energy: -199.750245 where: bonds (distance) C4'-P energy: -55.530 bonds (distance) P-C4' energy: -62.089 flat angles C4'-P-C4' energy: -45.582 flat angles P-C4'-P energy: -43.775 tors. eta vs tors. theta energy: 7.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1203.088977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.088977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.088977 (E_RNA) where: Base-Base interactions energy: -786.723 where: short stacking energy: -373.006 Base-Backbone interact. energy: -1.817 local terms energy: -414.548646 where: bonds (distance) C4'-P energy: -91.176 bonds (distance) P-C4' energy: -81.525 flat angles C4'-P-C4' energy: -84.784 flat angles P-C4'-P energy: -58.025 tors. eta vs tors. theta energy: -99.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1147.422067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.422067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.422067 (E_RNA) where: Base-Base interactions energy: -768.521 where: short stacking energy: -333.881 Base-Backbone interact. energy: 0.331 local terms energy: -379.232618 where: bonds (distance) C4'-P energy: -81.819 bonds (distance) P-C4' energy: -85.079 flat angles C4'-P-C4' energy: -81.815 flat angles P-C4'-P energy: -50.956 tors. eta vs tors. theta energy: -79.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1085.169191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.169191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.169191 (E_RNA) where: Base-Base interactions energy: -690.388 where: short stacking energy: -343.322 Base-Backbone interact. energy: -0.057 local terms energy: -394.724004 where: bonds (distance) C4'-P energy: -59.729 bonds (distance) P-C4' energy: -79.155 flat angles C4'-P-C4' energy: -85.113 flat angles P-C4'-P energy: -61.042 tors. eta vs tors. theta energy: -109.685 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: 2 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -927.178683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.178683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.178683 (E_RNA) where: Base-Base interactions energy: -586.685 where: short stacking energy: -282.884 Base-Backbone interact. energy: -1.898 local terms energy: -338.595942 where: bonds (distance) C4'-P energy: -81.109 bonds (distance) P-C4' energy: -78.223 flat angles C4'-P-C4' energy: -75.017 flat angles P-C4'-P energy: -42.026 tors. eta vs tors. theta energy: -62.221 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: 8 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -881.753582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.753582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.753582 (E_RNA) where: Base-Base interactions energy: -559.870 where: short stacking energy: -254.892 Base-Backbone interact. energy: -1.736 local terms energy: -320.147480 where: bonds (distance) C4'-P energy: -76.291 bonds (distance) P-C4' energy: -71.281 flat angles C4'-P-C4' energy: -80.730 flat angles P-C4'-P energy: -45.613 tors. eta vs tors. theta energy: -46.232 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: 5 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -687.716504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.716504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.716504 (E_RNA) where: Base-Base interactions energy: -414.489 where: short stacking energy: -217.647 Base-Backbone interact. energy: 1.603 local terms energy: -274.830205 where: bonds (distance) C4'-P energy: -62.800 bonds (distance) P-C4' energy: -71.103 flat angles C4'-P-C4' energy: -69.801 flat angles P-C4'-P energy: -36.470 tors. eta vs tors. theta energy: -34.656 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: 3 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -675.146665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.146665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.146665 (E_RNA) where: Base-Base interactions energy: -384.082 where: short stacking energy: -195.726 Base-Backbone interact. energy: -3.301 local terms energy: -287.763799 where: bonds (distance) C4'-P energy: -72.701 bonds (distance) P-C4' energy: -70.357 flat angles C4'-P-C4' energy: -68.580 flat angles P-C4'-P energy: -41.172 tors. eta vs tors. theta energy: -34.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -504.897350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.897350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.897350 (E_RNA) where: Base-Base interactions energy: -279.670 where: short stacking energy: -172.120 Base-Backbone interact. energy: 3.458 local terms energy: -228.685239 where: bonds (distance) C4'-P energy: -55.778 bonds (distance) P-C4' energy: -52.044 flat angles C4'-P-C4' energy: -63.434 flat angles P-C4'-P energy: -40.734 tors. eta vs tors. theta energy: -16.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -354.631989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.631989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.631989 (E_RNA) where: Base-Base interactions energy: -132.080 where: short stacking energy: -109.790 Base-Backbone interact. energy: -1.605 local terms energy: -220.946479 where: bonds (distance) C4'-P energy: -64.029 bonds (distance) P-C4' energy: -67.416 flat angles C4'-P-C4' energy: -52.529 flat angles P-C4'-P energy: -28.626 tors. eta vs tors. theta energy: -8.347 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: 7 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -371.307414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.307414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.307414 (E_RNA) where: Base-Base interactions energy: -169.786 where: short stacking energy: -110.206 Base-Backbone interact. energy: 1.907 local terms energy: -203.428190 where: bonds (distance) C4'-P energy: -59.929 bonds (distance) P-C4' energy: -61.478 flat angles C4'-P-C4' energy: -64.334 flat angles P-C4'-P energy: -21.522 tors. eta vs tors. theta energy: 3.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1205.695852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.695852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.695852 (E_RNA) where: Base-Base interactions energy: -788.073 where: short stacking energy: -387.431 Base-Backbone interact. energy: -0.404 local terms energy: -417.218665 where: bonds (distance) C4'-P energy: -68.901 bonds (distance) P-C4' energy: -84.037 flat angles C4'-P-C4' energy: -94.593 flat angles P-C4'-P energy: -63.282 tors. eta vs tors. theta energy: -106.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1126.384492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.384492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.384492 (E_RNA) where: Base-Base interactions energy: -748.564 where: short stacking energy: -341.079 Base-Backbone interact. energy: -3.148 local terms energy: -374.672270 where: bonds (distance) C4'-P energy: -81.336 bonds (distance) P-C4' energy: -84.228 flat angles C4'-P-C4' energy: -85.699 flat angles P-C4'-P energy: -43.845 tors. eta vs tors. theta energy: -79.564 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: 1 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1070.579474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.579474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.579474 (E_RNA) where: Base-Base interactions energy: -677.106 where: short stacking energy: -334.806 Base-Backbone interact. energy: -0.418 local terms energy: -393.055282 where: bonds (distance) C4'-P energy: -82.046 bonds (distance) P-C4' energy: -78.262 flat angles C4'-P-C4' energy: -82.877 flat angles P-C4'-P energy: -47.518 tors. eta vs tors. theta energy: -102.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -917.491377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.491377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.491377 (E_RNA) where: Base-Base interactions energy: -602.278 where: short stacking energy: -256.291 Base-Backbone interact. energy: -2.044 local terms energy: -313.169459 where: bonds (distance) C4'-P energy: -63.210 bonds (distance) P-C4' energy: -77.928 flat angles C4'-P-C4' energy: -79.557 flat angles P-C4'-P energy: -41.520 tors. eta vs tors. theta energy: -50.955 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: 8 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -892.349877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.349877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.349877 (E_RNA) where: Base-Base interactions energy: -578.743 where: short stacking energy: -280.049 Base-Backbone interact. energy: -1.663 local terms energy: -311.944587 where: bonds (distance) C4'-P energy: -58.009 bonds (distance) P-C4' energy: -77.993 flat angles C4'-P-C4' energy: -78.621 flat angles P-C4'-P energy: -36.159 tors. eta vs tors. theta energy: -61.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -721.201085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.201085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.201085 (E_RNA) where: Base-Base interactions energy: -435.973 where: short stacking energy: -228.843 Base-Backbone interact. energy: -2.456 local terms energy: -282.771734 where: bonds (distance) C4'-P energy: -69.688 bonds (distance) P-C4' energy: -78.566 flat angles C4'-P-C4' energy: -55.065 flat angles P-C4'-P energy: -45.162 tors. eta vs tors. theta energy: -34.291 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: 26 Temperature: 1.200000 Total energy: -753.613436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.613436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.613436 (E_RNA) where: Base-Base interactions energy: -464.735 where: short stacking energy: -205.978 Base-Backbone interact. energy: -2.751 local terms energy: -286.126753 where: bonds (distance) C4'-P energy: -64.140 bonds (distance) P-C4' energy: -81.483 flat angles C4'-P-C4' energy: -59.728 flat angles P-C4'-P energy: -42.378 tors. eta vs tors. theta energy: -38.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -517.142785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.142785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.142785 (E_RNA) where: Base-Base interactions energy: -265.692 where: short stacking energy: -158.626 Base-Backbone interact. energy: -2.040 local terms energy: -249.411558 where: bonds (distance) C4'-P energy: -65.946 bonds (distance) P-C4' energy: -62.171 flat angles C4'-P-C4' energy: -52.853 flat angles P-C4'-P energy: -47.190 tors. eta vs tors. theta energy: -21.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -460.497348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.497348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.497348 (E_RNA) where: Base-Base interactions energy: -218.088 where: short stacking energy: -129.853 Base-Backbone interact. energy: -0.700 local terms energy: -241.709414 where: bonds (distance) C4'-P energy: -72.966 bonds (distance) P-C4' energy: -66.367 flat angles C4'-P-C4' energy: -62.467 flat angles P-C4'-P energy: -29.198 tors. eta vs tors. theta energy: -10.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -376.344262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.344262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.344262 (E_RNA) where: Base-Base interactions energy: -155.520 where: short stacking energy: -119.690 Base-Backbone interact. energy: -1.784 local terms energy: -219.040571 where: bonds (distance) C4'-P energy: -50.992 bonds (distance) P-C4' energy: -69.404 flat angles C4'-P-C4' energy: -62.749 flat angles P-C4'-P energy: -30.442 tors. eta vs tors. theta energy: -5.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1205.348926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.348926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.348926 (E_RNA) where: Base-Base interactions energy: -811.001 where: short stacking energy: -384.821 Base-Backbone interact. energy: -0.567 local terms energy: -393.781430 where: bonds (distance) C4'-P energy: -69.776 bonds (distance) P-C4' energy: -77.826 flat angles C4'-P-C4' energy: -83.643 flat angles P-C4'-P energy: -62.182 tors. eta vs tors. theta energy: -100.355 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: 27 Temperature: 0.950000 Total energy: -1152.285685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.285685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.285685 (E_RNA) where: Base-Base interactions energy: -771.432 where: short stacking energy: -339.938 Base-Backbone interact. energy: -4.324 local terms energy: -376.530506 where: bonds (distance) C4'-P energy: -72.835 bonds (distance) P-C4' energy: -74.198 flat angles C4'-P-C4' energy: -89.800 flat angles P-C4'-P energy: -54.102 tors. eta vs tors. theta energy: -85.595 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: 3, replica: 1 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1089.957796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.957796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.957796 (E_RNA) where: Base-Base interactions energy: -704.564 where: short stacking energy: -346.858 Base-Backbone interact. energy: -2.689 local terms energy: -382.705068 where: bonds (distance) C4'-P energy: -79.835 bonds (distance) P-C4' energy: -73.954 flat angles C4'-P-C4' energy: -75.892 flat angles P-C4'-P energy: -49.508 tors. eta vs tors. theta energy: -103.517 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: 2 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -950.194770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.194770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.194770 (E_RNA) where: Base-Base interactions energy: -613.839 where: short stacking energy: -260.584 Base-Backbone interact. energy: -2.222 local terms energy: -334.133829 where: bonds (distance) C4'-P energy: -66.118 bonds (distance) P-C4' energy: -80.758 flat angles C4'-P-C4' energy: -75.079 flat angles P-C4'-P energy: -34.764 tors. eta vs tors. theta energy: -77.415 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: 8 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -935.360297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.360297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.360297 (E_RNA) where: Base-Base interactions energy: -594.458 where: short stacking energy: -271.158 Base-Backbone interact. energy: -0.648 local terms energy: -340.254618 where: bonds (distance) C4'-P energy: -69.313 bonds (distance) P-C4' energy: -64.426 flat angles C4'-P-C4' energy: -89.614 flat angles P-C4'-P energy: -51.850 tors. eta vs tors. theta energy: -65.051 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: 6, replica: 3 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -845.777800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.777800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.777800 (E_RNA) where: Base-Base interactions energy: -558.674 where: short stacking energy: -255.406 Base-Backbone interact. energy: -2.402 local terms energy: -284.701490 where: bonds (distance) C4'-P energy: -65.256 bonds (distance) P-C4' energy: -69.700 flat angles C4'-P-C4' energy: -63.185 flat angles P-C4'-P energy: -46.037 tors. eta vs tors. theta energy: -40.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -663.010597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.010597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.010597 (E_RNA) where: Base-Base interactions energy: -354.127 where: short stacking energy: -195.681 Base-Backbone interact. energy: 4.985 local terms energy: -313.868965 where: bonds (distance) C4'-P energy: -75.321 bonds (distance) P-C4' energy: -63.814 flat angles C4'-P-C4' energy: -79.943 flat angles P-C4'-P energy: -60.469 tors. eta vs tors. theta energy: -34.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -550.088466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.088466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.088466 (E_RNA) where: Base-Base interactions energy: -300.580 where: short stacking energy: -154.547 Base-Backbone interact. energy: -1.712 local terms energy: -247.796356 where: bonds (distance) C4'-P energy: -62.350 bonds (distance) P-C4' energy: -66.707 flat angles C4'-P-C4' energy: -50.659 flat angles P-C4'-P energy: -51.795 tors. eta vs tors. theta energy: -16.285 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: 7 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -460.359175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.359175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.359175 (E_RNA) where: Base-Base interactions energy: -218.053 where: short stacking energy: -142.806 Base-Backbone interact. energy: 5.013 local terms energy: -247.318660 where: bonds (distance) C4'-P energy: -70.506 bonds (distance) P-C4' energy: -62.316 flat angles C4'-P-C4' energy: -64.890 flat angles P-C4'-P energy: -36.822 tors. eta vs tors. theta energy: -12.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -334.224854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -334.224854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -334.224854 (E_RNA) where: Base-Base interactions energy: -124.011 where: short stacking energy: -113.162 Base-Backbone interact. energy: -1.358 local terms energy: -208.856200 where: bonds (distance) C4'-P energy: -60.589 bonds (distance) P-C4' energy: -53.856 flat angles C4'-P-C4' energy: -49.127 flat angles P-C4'-P energy: -41.799 tors. eta vs tors. theta energy: -3.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1212.172946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.172946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.172946 (E_RNA) where: Base-Base interactions energy: -808.906 where: short stacking energy: -361.378 Base-Backbone interact. energy: -3.383 local terms energy: -399.883957 where: bonds (distance) C4'-P energy: -75.781 bonds (distance) P-C4' energy: -84.143 flat angles C4'-P-C4' energy: -87.464 flat angles P-C4'-P energy: -52.474 tors. eta vs tors. theta energy: -100.023 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: 28 Temperature: 0.950000 Total energy: -1116.797293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.797293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.797293 (E_RNA) where: Base-Base interactions energy: -733.670 where: short stacking energy: -335.705 Base-Backbone interact. energy: -3.060 local terms energy: -380.066620 where: bonds (distance) C4'-P energy: -79.125 bonds (distance) P-C4' energy: -82.364 flat angles C4'-P-C4' energy: -83.421 flat angles P-C4'-P energy: -49.840 tors. eta vs tors. theta energy: -85.316 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: 3, replica: 1 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1046.207119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.207119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.207119 (E_RNA) where: Base-Base interactions energy: -662.906 where: short stacking energy: -310.182 Base-Backbone interact. energy: 1.567 local terms energy: -384.868047 where: bonds (distance) C4'-P energy: -67.979 bonds (distance) P-C4' energy: -78.294 flat angles C4'-P-C4' energy: -79.659 flat angles P-C4'-P energy: -60.444 tors. eta vs tors. theta energy: -98.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -988.170641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.170641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.170641 (E_RNA) where: Base-Base interactions energy: -633.102 where: short stacking energy: -300.163 Base-Backbone interact. energy: -2.256 local terms energy: -352.813005 where: bonds (distance) C4'-P energy: -73.951 bonds (distance) P-C4' energy: -71.868 flat angles C4'-P-C4' energy: -82.321 flat angles P-C4'-P energy: -42.235 tors. eta vs tors. theta energy: -82.438 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: 8 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -956.752486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.752486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.752486 (E_RNA) where: Base-Base interactions energy: -622.617 where: short stacking energy: -276.107 Base-Backbone interact. energy: -0.191 local terms energy: -333.944057 where: bonds (distance) C4'-P energy: -69.205 bonds (distance) P-C4' energy: -80.013 flat angles C4'-P-C4' energy: -70.811 flat angles P-C4'-P energy: -53.097 tors. eta vs tors. theta energy: -60.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -962.576563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.576563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.576563 (E_RNA) where: Base-Base interactions energy: -638.421 where: short stacking energy: -288.832 Base-Backbone interact. energy: -1.726 local terms energy: -322.429927 where: bonds (distance) C4'-P energy: -66.391 bonds (distance) P-C4' energy: -78.391 flat angles C4'-P-C4' energy: -58.084 flat angles P-C4'-P energy: -53.976 tors. eta vs tors. theta energy: -65.589 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: 5 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -713.172679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.172679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.172679 (E_RNA) where: Base-Base interactions energy: -419.148 where: short stacking energy: -217.710 Base-Backbone interact. energy: 0.108 local terms energy: -294.132445 where: bonds (distance) C4'-P energy: -73.731 bonds (distance) P-C4' energy: -68.153 flat angles C4'-P-C4' energy: -72.537 flat angles P-C4'-P energy: -39.551 tors. eta vs tors. theta energy: -40.160 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: 8, replica: 4 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -569.292561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.292561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.292561 (E_RNA) where: Base-Base interactions energy: -302.037 where: short stacking energy: -165.728 Base-Backbone interact. energy: 1.406 local terms energy: -268.661582 where: bonds (distance) C4'-P energy: -57.276 bonds (distance) P-C4' energy: -67.530 flat angles C4'-P-C4' energy: -76.042 flat angles P-C4'-P energy: -45.170 tors. eta vs tors. theta energy: -22.644 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: 7 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -479.864147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.864147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.864147 (E_RNA) where: Base-Base interactions energy: -217.202 where: short stacking energy: -108.933 Base-Backbone interact. energy: 0.200 local terms energy: -262.861884 where: bonds (distance) C4'-P energy: -78.607 bonds (distance) P-C4' energy: -69.042 flat angles C4'-P-C4' energy: -74.290 flat angles P-C4'-P energy: -30.636 tors. eta vs tors. theta energy: -10.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -323.173532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.173532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.173532 (E_RNA) where: Base-Base interactions energy: -109.726 where: short stacking energy: -83.053 Base-Backbone interact. energy: -3.717 local terms energy: -209.730619 where: bonds (distance) C4'-P energy: -69.517 bonds (distance) P-C4' energy: -56.528 flat angles C4'-P-C4' energy: -52.256 flat angles P-C4'-P energy: -30.225 tors. eta vs tors. theta energy: -1.205 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: 9 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1249.695909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.695909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.695909 (E_RNA) where: Base-Base interactions energy: -851.095 where: short stacking energy: -384.491 Base-Backbone interact. energy: -1.943 local terms energy: -396.657886 where: bonds (distance) C4'-P energy: -71.825 bonds (distance) P-C4' energy: -80.090 flat angles C4'-P-C4' energy: -81.519 flat angles P-C4'-P energy: -66.028 tors. eta vs tors. theta energy: -97.196 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: 29 Temperature: 0.950000 Total energy: -1171.945991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.945991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.945991 (E_RNA) where: Base-Base interactions energy: -806.869 where: short stacking energy: -343.939 Base-Backbone interact. energy: -1.891 local terms energy: -363.186498 where: bonds (distance) C4'-P energy: -74.825 bonds (distance) P-C4' energy: -68.193 flat angles C4'-P-C4' energy: -85.802 flat angles P-C4'-P energy: -44.517 tors. eta vs tors. theta energy: -89.849 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: 3, replica: 1 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1046.278411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.278411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.278411 (E_RNA) where: Base-Base interactions energy: -679.666 where: short stacking energy: -308.514 Base-Backbone interact. energy: -2.233 local terms energy: -364.379425 where: bonds (distance) C4'-P energy: -70.877 bonds (distance) P-C4' energy: -80.011 flat angles C4'-P-C4' energy: -76.828 flat angles P-C4'-P energy: -49.244 tors. eta vs tors. theta energy: -87.419 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: 2 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1019.618762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.618762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.618762 (E_RNA) where: Base-Base interactions energy: -657.696 where: short stacking energy: -292.570 Base-Backbone interact. energy: 1.014 local terms energy: -362.936633 where: bonds (distance) C4'-P energy: -76.739 bonds (distance) P-C4' energy: -75.987 flat angles C4'-P-C4' energy: -78.147 flat angles P-C4'-P energy: -52.572 tors. eta vs tors. theta energy: -79.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -916.901909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.901909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.901909 (E_RNA) where: Base-Base interactions energy: -563.758 where: short stacking energy: -265.977 Base-Backbone interact. energy: -2.150 local terms energy: -350.993846 where: bonds (distance) C4'-P energy: -70.753 bonds (distance) P-C4' energy: -91.973 flat angles C4'-P-C4' energy: -72.825 flat angles P-C4'-P energy: -59.304 tors. eta vs tors. theta energy: -56.139 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: 29 Temperature: 1.150000 Total energy: -985.390262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.390262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.390262 (E_RNA) where: Base-Base interactions energy: -678.102 where: short stacking energy: -281.717 Base-Backbone interact. energy: 2.773 local terms energy: -310.061704 where: bonds (distance) C4'-P energy: -57.956 bonds (distance) P-C4' energy: -67.072 flat angles C4'-P-C4' energy: -77.268 flat angles P-C4'-P energy: -49.534 tors. eta vs tors. theta energy: -58.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -668.786013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.786013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.786013 (E_RNA) where: Base-Base interactions energy: -395.824 where: short stacking energy: -218.309 Base-Backbone interact. energy: -2.180 local terms energy: -270.781389 where: bonds (distance) C4'-P energy: -51.433 bonds (distance) P-C4' energy: -65.622 flat angles C4'-P-C4' energy: -72.887 flat angles P-C4'-P energy: -44.688 tors. eta vs tors. theta energy: -36.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -589.621045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.621045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.621045 (E_RNA) where: Base-Base interactions energy: -344.936 where: short stacking energy: -168.255 Base-Backbone interact. energy: -1.261 local terms energy: -243.423866 where: bonds (distance) C4'-P energy: -58.569 bonds (distance) P-C4' energy: -79.994 flat angles C4'-P-C4' energy: -64.176 flat angles P-C4'-P energy: -33.004 tors. eta vs tors. theta energy: -7.680 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: 7 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -482.059683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.059683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.059683 (E_RNA) where: Base-Base interactions energy: -237.763 where: short stacking energy: -152.938 Base-Backbone interact. energy: -1.182 local terms energy: -243.114153 where: bonds (distance) C4'-P energy: -59.131 bonds (distance) P-C4' energy: -78.726 flat angles C4'-P-C4' energy: -60.464 flat angles P-C4'-P energy: -38.867 tors. eta vs tors. theta energy: -5.926 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: 6 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -339.646656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.646656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.646656 (E_RNA) where: Base-Base interactions energy: -138.525 where: short stacking energy: -110.302 Base-Backbone interact. energy: 0.426 local terms energy: -201.548013 where: bonds (distance) C4'-P energy: -56.384 bonds (distance) P-C4' energy: -70.301 flat angles C4'-P-C4' energy: -49.973 flat angles P-C4'-P energy: -34.759 tors. eta vs tors. theta energy: 9.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1234.963896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.963896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.963896 (E_RNA) where: Base-Base interactions energy: -835.589 where: short stacking energy: -370.934 Base-Backbone interact. energy: -0.651 local terms energy: -398.723535 where: bonds (distance) C4'-P energy: -76.649 bonds (distance) P-C4' energy: -78.249 flat angles C4'-P-C4' energy: -91.088 flat angles P-C4'-P energy: -57.387 tors. eta vs tors. theta energy: -95.350 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: 30 Temperature: 0.950000 Total energy: -1168.373348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.373348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.373348 (E_RNA) where: Base-Base interactions energy: -785.546 where: short stacking energy: -338.514 Base-Backbone interact. energy: -2.656 local terms energy: -380.172021 where: bonds (distance) C4'-P energy: -76.283 bonds (distance) P-C4' energy: -78.495 flat angles C4'-P-C4' energy: -88.600 flat angles P-C4'-P energy: -51.612 tors. eta vs tors. theta energy: -85.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1037.398014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.398014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.398014 (E_RNA) where: Base-Base interactions energy: -640.855 where: short stacking energy: -322.279 Base-Backbone interact. energy: -0.970 local terms energy: -395.573272 where: bonds (distance) C4'-P energy: -77.835 bonds (distance) P-C4' energy: -82.527 flat angles C4'-P-C4' energy: -84.286 flat angles P-C4'-P energy: -63.223 tors. eta vs tors. theta energy: -87.703 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: 30 Temperature: 1.050000 Total energy: -1008.900616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.900616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.900616 (E_RNA) where: Base-Base interactions energy: -670.707 where: short stacking energy: -298.653 Base-Backbone interact. energy: -1.752 local terms energy: -336.441577 where: bonds (distance) C4'-P energy: -70.108 bonds (distance) P-C4' energy: -63.944 flat angles C4'-P-C4' energy: -72.005 flat angles P-C4'-P energy: -47.367 tors. eta vs tors. theta energy: -83.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1046.586629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.586629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.586629 (E_RNA) where: Base-Base interactions energy: -720.256 where: short stacking energy: -307.015 Base-Backbone interact. energy: -0.331 local terms energy: -325.998808 where: bonds (distance) C4'-P energy: -67.342 bonds (distance) P-C4' energy: -62.387 flat angles C4'-P-C4' energy: -81.439 flat angles P-C4'-P energy: -50.354 tors. eta vs tors. theta energy: -64.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -911.831183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.831183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.831183 (E_RNA) where: Base-Base interactions energy: -594.281 where: short stacking energy: -266.487 Base-Backbone interact. energy: -1.472 local terms energy: -316.078268 where: bonds (distance) C4'-P energy: -52.604 bonds (distance) P-C4' energy: -76.715 flat angles C4'-P-C4' energy: -78.965 flat angles P-C4'-P energy: -53.457 tors. eta vs tors. theta energy: -54.338 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: 5 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -680.991776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.991776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.991776 (E_RNA) where: Base-Base interactions energy: -403.906 where: short stacking energy: -210.026 Base-Backbone interact. energy: -1.050 local terms energy: -276.035649 where: bonds (distance) C4'-P energy: -73.442 bonds (distance) P-C4' energy: -71.769 flat angles C4'-P-C4' energy: -65.675 flat angles P-C4'-P energy: -23.032 tors. eta vs tors. theta energy: -42.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -639.424611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.424611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.424611 (E_RNA) where: Base-Base interactions energy: -388.236 where: short stacking energy: -214.182 Base-Backbone interact. energy: 0.332 local terms energy: -251.521316 where: bonds (distance) C4'-P energy: -66.191 bonds (distance) P-C4' energy: -63.428 flat angles C4'-P-C4' energy: -63.936 flat angles P-C4'-P energy: -31.200 tors. eta vs tors. theta energy: -26.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -590.292402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.292402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.292402 (E_RNA) where: Base-Base interactions energy: -330.513 where: short stacking energy: -182.589 Base-Backbone interact. energy: 0.508 local terms energy: -260.287454 where: bonds (distance) C4'-P energy: -49.478 bonds (distance) P-C4' energy: -75.036 flat angles C4'-P-C4' energy: -61.170 flat angles P-C4'-P energy: -46.967 tors. eta vs tors. theta energy: -27.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -330.057141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.057141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.057141 (E_RNA) where: Base-Base interactions energy: -106.043 where: short stacking energy: -74.223 Base-Backbone interact. energy: 2.179 local terms energy: -226.192552 where: bonds (distance) C4'-P energy: -59.491 bonds (distance) P-C4' energy: -84.267 flat angles C4'-P-C4' energy: -59.232 flat angles P-C4'-P energy: -30.598 tors. eta vs tors. theta energy: 7.396 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: 9 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1206.727930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.727930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.727930 (E_RNA) where: Base-Base interactions energy: -826.623 where: short stacking energy: -363.121 Base-Backbone interact. energy: -2.047 local terms energy: -378.057477 where: bonds (distance) C4'-P energy: -73.375 bonds (distance) P-C4' energy: -74.907 flat angles C4'-P-C4' energy: -86.539 flat angles P-C4'-P energy: -50.316 tors. eta vs tors. theta energy: -92.920 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: 10 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1146.254667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.254667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.254667 (E_RNA) where: Base-Base interactions energy: -784.783 where: short stacking energy: -314.637 Base-Backbone interact. energy: -3.246 local terms energy: -358.226046 where: bonds (distance) C4'-P energy: -67.839 bonds (distance) P-C4' energy: -85.723 flat angles C4'-P-C4' energy: -74.706 flat angles P-C4'-P energy: -46.913 tors. eta vs tors. theta energy: -83.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1031.253099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.253099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.253099 (E_RNA) where: Base-Base interactions energy: -657.156 where: short stacking energy: -312.585 Base-Backbone interact. energy: 2.530 local terms energy: -376.626594 where: bonds (distance) C4'-P energy: -69.907 bonds (distance) P-C4' energy: -70.146 flat angles C4'-P-C4' energy: -92.081 flat angles P-C4'-P energy: -63.622 tors. eta vs tors. theta energy: -80.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1075.967782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.967782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.967782 (E_RNA) where: Base-Base interactions energy: -739.335 where: short stacking energy: -322.019 Base-Backbone interact. energy: -0.188 local terms energy: -336.444550 where: bonds (distance) C4'-P energy: -77.236 bonds (distance) P-C4' energy: -74.140 flat angles C4'-P-C4' energy: -70.503 flat angles P-C4'-P energy: -48.013 tors. eta vs tors. theta energy: -66.553 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: 2 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -942.272217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.272217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.272217 (E_RNA) where: Base-Base interactions energy: -619.246 where: short stacking energy: -276.790 Base-Backbone interact. energy: -2.842 local terms energy: -320.184009 where: bonds (distance) C4'-P energy: -75.860 bonds (distance) P-C4' energy: -55.797 flat angles C4'-P-C4' energy: -71.276 flat angles P-C4'-P energy: -34.344 tors. eta vs tors. theta energy: -82.908 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: 8 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -902.014485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.014485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.014485 (E_RNA) where: Base-Base interactions energy: -577.103 where: short stacking energy: -257.303 Base-Backbone interact. energy: -1.222 local terms energy: -323.689110 where: bonds (distance) C4'-P energy: -76.496 bonds (distance) P-C4' energy: -68.783 flat angles C4'-P-C4' energy: -70.638 flat angles P-C4'-P energy: -44.328 tors. eta vs tors. theta energy: -63.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -742.252499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.252499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.252499 (E_RNA) where: Base-Base interactions energy: -465.894 where: short stacking energy: -229.324 Base-Backbone interact. energy: -1.238 local terms energy: -275.120526 where: bonds (distance) C4'-P energy: -65.109 bonds (distance) P-C4' energy: -68.959 flat angles C4'-P-C4' energy: -69.797 flat angles P-C4'-P energy: -42.664 tors. eta vs tors. theta energy: -28.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -647.580905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.580905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.580905 (E_RNA) where: Base-Base interactions energy: -383.831 where: short stacking energy: -174.565 Base-Backbone interact. energy: 0.321 local terms energy: -264.071136 where: bonds (distance) C4'-P energy: -63.380 bonds (distance) P-C4' energy: -75.706 flat angles C4'-P-C4' energy: -69.355 flat angles P-C4'-P energy: -27.219 tors. eta vs tors. theta energy: -28.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -577.535379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.535379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.535379 (E_RNA) where: Base-Base interactions energy: -329.333 where: short stacking energy: -172.524 Base-Backbone interact. energy: -0.952 local terms energy: -247.250169 where: bonds (distance) C4'-P energy: -46.629 bonds (distance) P-C4' energy: -72.644 flat angles C4'-P-C4' energy: -69.507 flat angles P-C4'-P energy: -41.544 tors. eta vs tors. theta energy: -16.926 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: 6 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -348.957732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.957732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.957732 (E_RNA) where: Base-Base interactions energy: -155.326 where: short stacking energy: -106.672 Base-Backbone interact. energy: -0.192 local terms energy: -193.439744 where: bonds (distance) C4'-P energy: -71.950 bonds (distance) P-C4' energy: -55.381 flat angles C4'-P-C4' energy: -37.758 flat angles P-C4'-P energy: -30.534 tors. eta vs tors. theta energy: 2.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1208.571119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.571119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.571119 (E_RNA) where: Base-Base interactions energy: -794.147 where: short stacking energy: -375.480 Base-Backbone interact. energy: -1.011 local terms energy: -413.413428 where: bonds (distance) C4'-P energy: -75.753 bonds (distance) P-C4' energy: -87.272 flat angles C4'-P-C4' energy: -89.648 flat angles P-C4'-P energy: -59.394 tors. eta vs tors. theta energy: -101.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1101.584037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.584037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.584037 (E_RNA) where: Base-Base interactions energy: -739.839 where: short stacking energy: -326.018 Base-Backbone interact. energy: -2.243 local terms energy: -359.501797 where: bonds (distance) C4'-P energy: -67.966 bonds (distance) P-C4' energy: -74.570 flat angles C4'-P-C4' energy: -82.557 flat angles P-C4'-P energy: -49.128 tors. eta vs tors. theta energy: -85.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1165.840427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.840427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.840427 (E_RNA) where: Base-Base interactions energy: -821.374 where: short stacking energy: -338.584 Base-Backbone interact. energy: -1.578 local terms energy: -342.888268 where: bonds (distance) C4'-P energy: -52.757 bonds (distance) P-C4' energy: -76.427 flat angles C4'-P-C4' energy: -71.294 flat angles P-C4'-P energy: -61.655 tors. eta vs tors. theta energy: -80.757 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: 1 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1008.651401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.651401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.651401 (E_RNA) where: Base-Base interactions energy: -654.018 where: short stacking energy: -307.155 Base-Backbone interact. energy: -1.796 local terms energy: -352.837930 where: bonds (distance) C4'-P energy: -70.908 bonds (distance) P-C4' energy: -74.632 flat angles C4'-P-C4' energy: -78.237 flat angles P-C4'-P energy: -51.562 tors. eta vs tors. theta energy: -77.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1011.133628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.133628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.133628 (E_RNA) where: Base-Base interactions energy: -662.989 where: short stacking energy: -275.005 Base-Backbone interact. energy: -1.954 local terms energy: -346.191320 where: bonds (distance) C4'-P energy: -73.052 bonds (distance) P-C4' energy: -83.316 flat angles C4'-P-C4' energy: -74.088 flat angles P-C4'-P energy: -53.420 tors. eta vs tors. theta energy: -62.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -944.471661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.471661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.471661 (E_RNA) where: Base-Base interactions energy: -611.894 where: short stacking energy: -287.069 Base-Backbone interact. energy: -1.409 local terms energy: -331.168912 where: bonds (distance) C4'-P energy: -62.755 bonds (distance) P-C4' energy: -78.291 flat angles C4'-P-C4' energy: -73.558 flat angles P-C4'-P energy: -45.285 tors. eta vs tors. theta energy: -71.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -718.686605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.686605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.686605 (E_RNA) where: Base-Base interactions energy: -442.288 where: short stacking energy: -208.700 Base-Backbone interact. energy: -1.229 local terms energy: -275.169441 where: bonds (distance) C4'-P energy: -64.512 bonds (distance) P-C4' energy: -65.099 flat angles C4'-P-C4' energy: -67.016 flat angles P-C4'-P energy: -38.753 tors. eta vs tors. theta energy: -39.789 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: 4 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -684.938148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.938148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.938148 (E_RNA) where: Base-Base interactions energy: -428.935 where: short stacking energy: -208.372 Base-Backbone interact. energy: -1.633 local terms energy: -254.369805 where: bonds (distance) C4'-P energy: -58.362 bonds (distance) P-C4' energy: -68.954 flat angles C4'-P-C4' energy: -67.845 flat angles P-C4'-P energy: -30.736 tors. eta vs tors. theta energy: -28.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -547.224370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.224370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.224370 (E_RNA) where: Base-Base interactions energy: -306.057 where: short stacking energy: -180.340 Base-Backbone interact. energy: -0.100 local terms energy: -241.066911 where: bonds (distance) C4'-P energy: -60.489 bonds (distance) P-C4' energy: -59.555 flat angles C4'-P-C4' energy: -60.474 flat angles P-C4'-P energy: -37.440 tors. eta vs tors. theta energy: -23.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -370.495559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.495559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.495559 (E_RNA) where: Base-Base interactions energy: -128.352 where: short stacking energy: -113.465 Base-Backbone interact. energy: -0.027 local terms energy: -242.117469 where: bonds (distance) C4'-P energy: -68.196 bonds (distance) P-C4' energy: -69.703 flat angles C4'-P-C4' energy: -65.499 flat angles P-C4'-P energy: -46.098 tors. eta vs tors. theta energy: 7.379 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: 9 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1201.349295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.349295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.349295 (E_RNA) where: Base-Base interactions energy: -810.633 where: short stacking energy: -371.903 Base-Backbone interact. energy: -2.684 local terms energy: -388.032092 where: bonds (distance) C4'-P energy: -76.921 bonds (distance) P-C4' energy: -68.243 flat angles C4'-P-C4' energy: -84.304 flat angles P-C4'-P energy: -59.344 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: 2, replica: 3 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1243.353897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.353897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.353897 (E_RNA) where: Base-Base interactions energy: -855.433 where: short stacking energy: -359.205 Base-Backbone interact. energy: 2.282 local terms energy: -390.202606 where: bonds (distance) C4'-P energy: -72.926 bonds (distance) P-C4' energy: -86.339 flat angles C4'-P-C4' energy: -86.970 flat angles P-C4'-P energy: -57.550 tors. eta vs tors. theta energy: -86.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1062.927420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.927420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.927420 (E_RNA) where: Base-Base interactions energy: -715.980 where: short stacking energy: -311.683 Base-Backbone interact. energy: -4.267 local terms energy: -342.680827 where: bonds (distance) C4'-P energy: -58.752 bonds (distance) P-C4' energy: -71.470 flat angles C4'-P-C4' energy: -92.791 flat angles P-C4'-P energy: -51.234 tors. eta vs tors. theta energy: -68.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1094.069566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.069566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.069566 (E_RNA) where: Base-Base interactions energy: -717.366 where: short stacking energy: -313.865 Base-Backbone interact. energy: -1.497 local terms energy: -375.205898 where: bonds (distance) C4'-P energy: -85.954 bonds (distance) P-C4' energy: -76.943 flat angles C4'-P-C4' energy: -77.964 flat angles P-C4'-P energy: -49.922 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: 1 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -947.629073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.629073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.629073 (E_RNA) where: Base-Base interactions energy: -573.201 where: short stacking energy: -301.378 Base-Backbone interact. energy: 1.328 local terms energy: -375.755673 where: bonds (distance) C4'-P energy: -79.032 bonds (distance) P-C4' energy: -76.166 flat angles C4'-P-C4' energy: -83.981 flat angles P-C4'-P energy: -52.326 tors. eta vs tors. theta energy: -84.249 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: 2 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -882.928592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.928592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.928592 (E_RNA) where: Base-Base interactions energy: -578.986 where: short stacking energy: -266.998 Base-Backbone interact. energy: -1.414 local terms energy: -302.528527 where: bonds (distance) C4'-P energy: -67.972 bonds (distance) P-C4' energy: -60.506 flat angles C4'-P-C4' energy: -73.703 flat angles P-C4'-P energy: -40.686 tors. eta vs tors. theta energy: -59.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -681.051945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.051945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.051945 (E_RNA) where: Base-Base interactions energy: -406.935 where: short stacking energy: -224.605 Base-Backbone interact. energy: -2.593 local terms energy: -271.523956 where: bonds (distance) C4'-P energy: -55.909 bonds (distance) P-C4' energy: -59.128 flat angles C4'-P-C4' energy: -61.830 flat angles P-C4'-P energy: -49.592 tors. eta vs tors. theta energy: -45.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -663.095068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.095068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.095068 (E_RNA) where: Base-Base interactions energy: -401.880 where: short stacking energy: -205.547 Base-Backbone interact. energy: 0.104 local terms energy: -261.318964 where: bonds (distance) C4'-P energy: -64.876 bonds (distance) P-C4' energy: -67.430 flat angles C4'-P-C4' energy: -59.415 flat angles P-C4'-P energy: -43.725 tors. eta vs tors. theta energy: -25.873 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: 7 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -513.933158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.933158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.933158 (E_RNA) where: Base-Base interactions energy: -291.118 where: short stacking energy: -150.004 Base-Backbone interact. energy: -1.680 local terms energy: -221.135527 where: bonds (distance) C4'-P energy: -60.333 bonds (distance) P-C4' energy: -70.749 flat angles C4'-P-C4' energy: -47.831 flat angles P-C4'-P energy: -38.660 tors. eta vs tors. theta energy: -3.562 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: 6 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -338.874544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.874544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.874544 (E_RNA) where: Base-Base interactions energy: -126.633 where: short stacking energy: -111.712 Base-Backbone interact. energy: -1.118 local terms energy: -211.123879 where: bonds (distance) C4'-P energy: -52.644 bonds (distance) P-C4' energy: -69.870 flat angles C4'-P-C4' energy: -65.075 flat angles P-C4'-P energy: -28.774 tors. eta vs tors. theta energy: 5.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1225.751338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.751338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.751338 (E_RNA) where: Base-Base interactions energy: -828.979 where: short stacking energy: -370.817 Base-Backbone interact. energy: -0.572 local terms energy: -396.199787 where: bonds (distance) C4'-P energy: -76.942 bonds (distance) P-C4' energy: -78.936 flat angles C4'-P-C4' energy: -77.881 flat angles P-C4'-P energy: -61.832 tors. eta vs tors. theta energy: -100.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1216.000574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.000574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.000574 (E_RNA) where: Base-Base interactions energy: -838.463 where: short stacking energy: -370.358 Base-Backbone interact. energy: 0.535 local terms energy: -378.072806 where: bonds (distance) C4'-P energy: -76.036 bonds (distance) P-C4' energy: -67.834 flat angles C4'-P-C4' energy: -87.780 flat angles P-C4'-P energy: -54.252 tors. eta vs tors. theta energy: -92.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1134.158529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.158529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.158529 (E_RNA) where: Base-Base interactions energy: -750.633 where: short stacking energy: -347.965 Base-Backbone interact. energy: -2.074 local terms energy: -381.451669 where: bonds (distance) C4'-P energy: -73.047 bonds (distance) P-C4' energy: -73.444 flat angles C4'-P-C4' energy: -80.300 flat angles P-C4'-P energy: -56.820 tors. eta vs tors. theta energy: -97.840 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: 10 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1081.688739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.688739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.688739 (E_RNA) where: Base-Base interactions energy: -719.339 where: short stacking energy: -340.266 Base-Backbone interact. energy: -1.636 local terms energy: -360.714688 where: bonds (distance) C4'-P energy: -66.322 bonds (distance) P-C4' energy: -74.152 flat angles C4'-P-C4' energy: -84.394 flat angles P-C4'-P energy: -50.752 tors. eta vs tors. theta energy: -85.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -972.289551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.289551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.289551 (E_RNA) where: Base-Base interactions energy: -619.447 where: short stacking energy: -315.849 Base-Backbone interact. energy: -0.540 local terms energy: -352.303132 where: bonds (distance) C4'-P energy: -63.390 bonds (distance) P-C4' energy: -71.916 flat angles C4'-P-C4' energy: -79.457 flat angles P-C4'-P energy: -50.558 tors. eta vs tors. theta energy: -86.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -853.819352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.819352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.819352 (E_RNA) where: Base-Base interactions energy: -550.550 where: short stacking energy: -246.924 Base-Backbone interact. energy: -0.990 local terms energy: -302.279903 where: bonds (distance) C4'-P energy: -60.300 bonds (distance) P-C4' energy: -77.647 flat angles C4'-P-C4' energy: -81.518 flat angles P-C4'-P energy: -31.262 tors. eta vs tors. theta energy: -51.552 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: 5 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -719.517165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.517165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.517165 (E_RNA) where: Base-Base interactions energy: -438.335 where: short stacking energy: -214.973 Base-Backbone interact. energy: -1.081 local terms energy: -280.101512 where: bonds (distance) C4'-P energy: -76.820 bonds (distance) P-C4' energy: -65.090 flat angles C4'-P-C4' energy: -68.687 flat angles P-C4'-P energy: -31.239 tors. eta vs tors. theta energy: -38.265 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: 4 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -686.125332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.125332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.125332 (E_RNA) where: Base-Base interactions energy: -406.633 where: short stacking energy: -192.718 Base-Backbone interact. energy: -1.702 local terms energy: -277.791140 where: bonds (distance) C4'-P energy: -72.693 bonds (distance) P-C4' energy: -71.341 flat angles C4'-P-C4' energy: -60.308 flat angles P-C4'-P energy: -41.371 tors. eta vs tors. theta energy: -32.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -525.845361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.845361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.845361 (E_RNA) where: Base-Base interactions energy: -286.069 where: short stacking energy: -156.248 Base-Backbone interact. energy: -1.338 local terms energy: -238.438300 where: bonds (distance) C4'-P energy: -64.011 bonds (distance) P-C4' energy: -66.550 flat angles C4'-P-C4' energy: -63.719 flat angles P-C4'-P energy: -17.761 tors. eta vs tors. theta energy: -26.397 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: 10, replica: 6 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -415.812754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.812754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.812754 (E_RNA) where: Base-Base interactions energy: -198.288 where: short stacking energy: -102.424 Base-Backbone interact. energy: 2.603 local terms energy: -220.128254 where: bonds (distance) C4'-P energy: -65.315 bonds (distance) P-C4' energy: -74.902 flat angles C4'-P-C4' energy: -49.736 flat angles P-C4'-P energy: -44.401 tors. eta vs tors. theta energy: 14.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1216.160097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.160097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.160097 (E_RNA) where: Base-Base interactions energy: -812.040 where: short stacking energy: -364.968 Base-Backbone interact. energy: -1.585 local terms energy: -402.534363 where: bonds (distance) C4'-P energy: -79.129 bonds (distance) P-C4' energy: -78.707 flat angles C4'-P-C4' energy: -85.107 flat angles P-C4'-P energy: -56.953 tors. eta vs tors. theta energy: -102.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1254.680421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.680421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.680421 (E_RNA) where: Base-Base interactions energy: -859.524 where: short stacking energy: -379.145 Base-Backbone interact. energy: 0.306 local terms energy: -395.461719 where: bonds (distance) C4'-P energy: -80.866 bonds (distance) P-C4' energy: -76.033 flat angles C4'-P-C4' energy: -83.465 flat angles P-C4'-P energy: -54.503 tors. eta vs tors. theta energy: -100.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1153.103075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.103075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.103075 (E_RNA) where: Base-Base interactions energy: -752.978 where: short stacking energy: -361.602 Base-Backbone interact. energy: -0.602 local terms energy: -399.522733 where: bonds (distance) C4'-P energy: -71.221 bonds (distance) P-C4' energy: -77.347 flat angles C4'-P-C4' energy: -87.914 flat angles P-C4'-P energy: -54.563 tors. eta vs tors. theta energy: -108.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1024.209017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.209017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.209017 (E_RNA) where: Base-Base interactions energy: -651.848 where: short stacking energy: -303.079 Base-Backbone interact. energy: -3.628 local terms energy: -368.732785 where: bonds (distance) C4'-P energy: -80.619 bonds (distance) P-C4' energy: -80.604 flat angles C4'-P-C4' energy: -72.087 flat angles P-C4'-P energy: -47.815 tors. eta vs tors. theta energy: -87.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -907.344276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.344276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.344276 (E_RNA) where: Base-Base interactions energy: -557.577 where: short stacking energy: -282.719 Base-Backbone interact. energy: -0.960 local terms energy: -348.806876 where: bonds (distance) C4'-P energy: -77.743 bonds (distance) P-C4' energy: -76.711 flat angles C4'-P-C4' energy: -75.009 flat angles P-C4'-P energy: -49.198 tors. eta vs tors. theta energy: -70.146 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: 5 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -750.798302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.798302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.798302 (E_RNA) where: Base-Base interactions energy: -439.498 where: short stacking energy: -224.725 Base-Backbone interact. energy: -2.317 local terms energy: -308.982963 where: bonds (distance) C4'-P energy: -74.372 bonds (distance) P-C4' energy: -64.652 flat angles C4'-P-C4' energy: -70.704 flat angles P-C4'-P energy: -51.335 tors. eta vs tors. theta energy: -47.921 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: 2 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -753.835575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.835575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.835575 (E_RNA) where: Base-Base interactions energy: -475.384 where: short stacking energy: -205.544 Base-Backbone interact. energy: 0.094 local terms energy: -278.544957 where: bonds (distance) C4'-P energy: -54.687 bonds (distance) P-C4' energy: -49.512 flat angles C4'-P-C4' energy: -63.603 flat angles P-C4'-P energy: -61.790 tors. eta vs tors. theta energy: -48.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -684.947936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.947936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.947936 (E_RNA) where: Base-Base interactions energy: -412.016 where: short stacking energy: -198.249 Base-Backbone interact. energy: -2.223 local terms energy: -270.708483 where: bonds (distance) C4'-P energy: -68.732 bonds (distance) P-C4' energy: -67.142 flat angles C4'-P-C4' energy: -67.954 flat angles P-C4'-P energy: -36.301 tors. eta vs tors. theta energy: -30.580 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: 7 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -561.096374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.096374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.096374 (E_RNA) where: Base-Base interactions energy: -312.570 where: short stacking energy: -168.899 Base-Backbone interact. energy: 7.191 local terms energy: -255.716737 where: bonds (distance) C4'-P energy: -68.959 bonds (distance) P-C4' energy: -63.820 flat angles C4'-P-C4' energy: -52.275 flat angles P-C4'-P energy: -45.424 tors. eta vs tors. theta energy: -25.238 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: 6 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -405.323208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.323208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.323208 (E_RNA) where: Base-Base interactions energy: -200.002 where: short stacking energy: -126.926 Base-Backbone interact. energy: 0.103 local terms energy: -205.424434 where: bonds (distance) C4'-P energy: -59.074 bonds (distance) P-C4' energy: -49.810 flat angles C4'-P-C4' energy: -56.244 flat angles P-C4'-P energy: -37.522 tors. eta vs tors. theta energy: -2.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1216.321144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.321144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.321144 (E_RNA) where: Base-Base interactions energy: -807.471 where: short stacking energy: -378.507 Base-Backbone interact. energy: -2.486 local terms energy: -406.364232 where: bonds (distance) C4'-P energy: -85.533 bonds (distance) P-C4' energy: -68.184 flat angles C4'-P-C4' energy: -90.829 flat angles P-C4'-P energy: -58.698 tors. eta vs tors. theta energy: -103.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1243.122019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.122019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.122019 (E_RNA) where: Base-Base interactions energy: -825.253 where: short stacking energy: -364.191 Base-Backbone interact. energy: -2.685 local terms energy: -415.183869 where: bonds (distance) C4'-P energy: -82.504 bonds (distance) P-C4' energy: -82.180 flat angles C4'-P-C4' energy: -91.422 flat angles P-C4'-P energy: -56.476 tors. eta vs tors. theta energy: -102.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1165.165731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.165731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.165731 (E_RNA) where: Base-Base interactions energy: -767.866 where: short stacking energy: -355.960 Base-Backbone interact. energy: -1.845 local terms energy: -395.454031 where: bonds (distance) C4'-P energy: -79.976 bonds (distance) P-C4' energy: -69.395 flat angles C4'-P-C4' energy: -85.682 flat angles P-C4'-P energy: -64.144 tors. eta vs tors. theta energy: -96.257 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: 10 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1002.017524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.017524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.017524 (E_RNA) where: Base-Base interactions energy: -637.730 where: short stacking energy: -297.675 Base-Backbone interact. energy: -3.763 local terms energy: -360.523996 where: bonds (distance) C4'-P energy: -67.497 bonds (distance) P-C4' energy: -74.918 flat angles C4'-P-C4' energy: -85.849 flat angles P-C4'-P energy: -49.976 tors. eta vs tors. theta energy: -82.284 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: 1 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -913.759633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.759633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.759633 (E_RNA) where: Base-Base interactions energy: -571.574 where: short stacking energy: -271.574 Base-Backbone interact. energy: -0.939 local terms energy: -341.246737 where: bonds (distance) C4'-P energy: -70.890 bonds (distance) P-C4' energy: -80.514 flat angles C4'-P-C4' energy: -76.334 flat angles P-C4'-P energy: -42.723 tors. eta vs tors. theta energy: -70.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -736.627939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.627939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.627939 (E_RNA) where: Base-Base interactions energy: -443.018 where: short stacking energy: -225.631 Base-Backbone interact. energy: -3.090 local terms energy: -290.519900 where: bonds (distance) C4'-P energy: -67.733 bonds (distance) P-C4' energy: -75.042 flat angles C4'-P-C4' energy: -66.712 flat angles P-C4'-P energy: -34.075 tors. eta vs tors. theta energy: -46.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -745.381844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.381844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.381844 (E_RNA) where: Base-Base interactions energy: -457.743 where: short stacking energy: -232.641 Base-Backbone interact. energy: -1.973 local terms energy: -285.665987 where: bonds (distance) C4'-P energy: -64.757 bonds (distance) P-C4' energy: -56.112 flat angles C4'-P-C4' energy: -67.843 flat angles P-C4'-P energy: -38.512 tors. eta vs tors. theta energy: -58.442 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: 2 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -653.940544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.940544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.940544 (E_RNA) where: Base-Base interactions energy: -370.459 where: short stacking energy: -212.783 Base-Backbone interact. energy: 0.234 local terms energy: -283.714653 where: bonds (distance) C4'-P energy: -60.708 bonds (distance) P-C4' energy: -66.565 flat angles C4'-P-C4' energy: -79.553 flat angles P-C4'-P energy: -41.203 tors. eta vs tors. theta energy: -35.686 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: 9, replica: 7 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -555.308703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.308703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.308703 (E_RNA) where: Base-Base interactions energy: -305.686 where: short stacking energy: -154.432 Base-Backbone interact. energy: -0.855 local terms energy: -248.767520 where: bonds (distance) C4'-P energy: -60.901 bonds (distance) P-C4' energy: -68.460 flat angles C4'-P-C4' energy: -59.703 flat angles P-C4'-P energy: -33.398 tors. eta vs tors. theta energy: -26.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -457.211464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.211464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.211464 (E_RNA) where: Base-Base interactions energy: -224.930 where: short stacking energy: -122.092 Base-Backbone interact. energy: -1.426 local terms energy: -230.855683 where: bonds (distance) C4'-P energy: -65.547 bonds (distance) P-C4' energy: -72.736 flat angles C4'-P-C4' energy: -58.448 flat angles P-C4'-P energy: -31.129 tors. eta vs tors. theta energy: -2.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1215.030382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.030382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.030382 (E_RNA) where: Base-Base interactions energy: -808.968 where: short stacking energy: -358.691 Base-Backbone interact. energy: -4.570 local terms energy: -401.492546 where: bonds (distance) C4'-P energy: -77.576 bonds (distance) P-C4' energy: -84.850 flat angles C4'-P-C4' energy: -86.963 flat angles P-C4'-P energy: -53.637 tors. eta vs tors. theta energy: -98.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1184.506075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.506075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.506075 (E_RNA) where: Base-Base interactions energy: -771.854 where: short stacking energy: -341.621 Base-Backbone interact. energy: 0.806 local terms energy: -413.457692 where: bonds (distance) C4'-P energy: -83.492 bonds (distance) P-C4' energy: -81.229 flat angles C4'-P-C4' energy: -90.894 flat angles P-C4'-P energy: -63.997 tors. eta vs tors. theta energy: -93.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1217.502973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.502973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.502973 (E_RNA) where: Base-Base interactions energy: -822.576 where: short stacking energy: -351.796 Base-Backbone interact. energy: 2.340 local terms energy: -397.267500 where: bonds (distance) C4'-P energy: -79.133 bonds (distance) P-C4' energy: -79.768 flat angles C4'-P-C4' energy: -82.336 flat angles P-C4'-P energy: -57.301 tors. eta vs tors. theta energy: -98.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1011.939779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.939779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.939779 (E_RNA) where: Base-Base interactions energy: -657.352 where: short stacking energy: -286.599 Base-Backbone interact. energy: -2.409 local terms energy: -352.178684 where: bonds (distance) C4'-P energy: -80.274 bonds (distance) P-C4' energy: -73.775 flat angles C4'-P-C4' energy: -80.570 flat angles P-C4'-P energy: -45.177 tors. eta vs tors. theta energy: -72.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -957.472715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.472715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.472715 (E_RNA) where: Base-Base interactions energy: -620.579 where: short stacking energy: -295.990 Base-Backbone interact. energy: -1.290 local terms energy: -335.603508 where: bonds (distance) C4'-P energy: -71.690 bonds (distance) P-C4' energy: -83.085 flat angles C4'-P-C4' energy: -70.597 flat angles P-C4'-P energy: -56.100 tors. eta vs tors. theta energy: -54.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -777.289785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.289785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.289785 (E_RNA) where: Base-Base interactions energy: -466.317 where: short stacking energy: -235.061 Base-Backbone interact. energy: 0.111 local terms energy: -311.083388 where: bonds (distance) C4'-P energy: -69.052 bonds (distance) P-C4' energy: -63.098 flat angles C4'-P-C4' energy: -73.606 flat angles P-C4'-P energy: -54.101 tors. eta vs tors. theta energy: -51.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -756.078251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.078251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.078251 (E_RNA) where: Base-Base interactions energy: -476.444 where: short stacking energy: -226.598 Base-Backbone interact. energy: -1.913 local terms energy: -277.721207 where: bonds (distance) C4'-P energy: -58.483 bonds (distance) P-C4' energy: -62.811 flat angles C4'-P-C4' energy: -63.953 flat angles P-C4'-P energy: -53.970 tors. eta vs tors. theta energy: -38.503 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: 8, replica: 7 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -592.034027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.034027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.034027 (E_RNA) where: Base-Base interactions energy: -350.560 where: short stacking energy: -167.198 Base-Backbone interact. energy: -2.335 local terms energy: -239.139116 where: bonds (distance) C4'-P energy: -69.213 bonds (distance) P-C4' energy: -71.803 flat angles C4'-P-C4' energy: -56.513 flat angles P-C4'-P energy: -28.811 tors. eta vs tors. theta energy: -12.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -630.559111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.559111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.559111 (E_RNA) where: Base-Base interactions energy: -391.231 where: short stacking energy: -182.926 Base-Backbone interact. energy: 2.375 local terms energy: -241.702859 where: bonds (distance) C4'-P energy: -58.357 bonds (distance) P-C4' energy: -64.970 flat angles C4'-P-C4' energy: -60.134 flat angles P-C4'-P energy: -30.563 tors. eta vs tors. theta energy: -27.678 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: 10, replica: 6 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -430.060956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.060956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.060956 (E_RNA) where: Base-Base interactions energy: -208.140 where: short stacking energy: -119.001 Base-Backbone interact. energy: -1.908 local terms energy: -220.012832 where: bonds (distance) C4'-P energy: -50.121 bonds (distance) P-C4' energy: -62.888 flat angles C4'-P-C4' energy: -78.056 flat angles P-C4'-P energy: -33.307 tors. eta vs tors. theta energy: 4.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1221.870748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.870748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.870748 (E_RNA) where: Base-Base interactions energy: -814.527 where: short stacking energy: -373.294 Base-Backbone interact. energy: -1.165 local terms energy: -406.179030 where: bonds (distance) C4'-P energy: -67.135 bonds (distance) P-C4' energy: -81.395 flat angles C4'-P-C4' energy: -89.542 flat angles P-C4'-P energy: -64.020 tors. eta vs tors. theta energy: -104.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1199.726958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.726958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.726958 (E_RNA) where: Base-Base interactions energy: -814.368 where: short stacking energy: -370.790 Base-Backbone interact. energy: -0.418 local terms energy: -384.941332 where: bonds (distance) C4'-P energy: -73.675 bonds (distance) P-C4' energy: -75.206 flat angles C4'-P-C4' energy: -82.889 flat angles P-C4'-P energy: -51.935 tors. eta vs tors. theta energy: -101.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1205.116630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.116630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.116630 (E_RNA) where: Base-Base interactions energy: -819.739 where: short stacking energy: -344.988 Base-Backbone interact. energy: -0.936 local terms energy: -384.441697 where: bonds (distance) C4'-P energy: -72.380 bonds (distance) P-C4' energy: -70.125 flat angles C4'-P-C4' energy: -86.911 flat angles P-C4'-P energy: -61.475 tors. eta vs tors. theta energy: -93.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -977.904421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.904421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.904421 (E_RNA) where: Base-Base interactions energy: -640.450 where: short stacking energy: -307.432 Base-Backbone interact. energy: -1.979 local terms energy: -335.475250 where: bonds (distance) C4'-P energy: -68.158 bonds (distance) P-C4' energy: -70.891 flat angles C4'-P-C4' energy: -82.186 flat angles P-C4'-P energy: -48.877 tors. eta vs tors. theta energy: -65.364 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: 5, replica: 1 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -950.447436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.447436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.447436 (E_RNA) where: Base-Base interactions energy: -623.934 where: short stacking energy: -306.650 Base-Backbone interact. energy: -0.744 local terms energy: -325.769722 where: bonds (distance) C4'-P energy: -72.281 bonds (distance) P-C4' energy: -56.767 flat angles C4'-P-C4' energy: -82.159 flat angles P-C4'-P energy: -36.846 tors. eta vs tors. theta energy: -77.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -760.625726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.625726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.625726 (E_RNA) where: Base-Base interactions energy: -464.103 where: short stacking energy: -232.297 Base-Backbone interact. energy: -2.281 local terms energy: -294.242228 where: bonds (distance) C4'-P energy: -53.156 bonds (distance) P-C4' energy: -63.851 flat angles C4'-P-C4' energy: -78.026 flat angles P-C4'-P energy: -48.567 tors. eta vs tors. theta energy: -50.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -805.109958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.109958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.109958 (E_RNA) where: Base-Base interactions energy: -499.416 where: short stacking energy: -224.421 Base-Backbone interact. energy: 0.022 local terms energy: -305.716141 where: bonds (distance) C4'-P energy: -73.727 bonds (distance) P-C4' energy: -73.244 flat angles C4'-P-C4' energy: -78.477 flat angles P-C4'-P energy: -42.818 tors. eta vs tors. theta energy: -37.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -618.066176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.066176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.066176 (E_RNA) where: Base-Base interactions energy: -371.864 where: short stacking energy: -201.073 Base-Backbone interact. energy: -0.942 local terms energy: -245.260270 where: bonds (distance) C4'-P energy: -67.281 bonds (distance) P-C4' energy: -56.670 flat angles C4'-P-C4' energy: -66.514 flat angles P-C4'-P energy: -26.392 tors. eta vs tors. theta energy: -28.404 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: 9, replica: 2 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -562.808104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.808104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.808104 (E_RNA) where: Base-Base interactions energy: -302.494 where: short stacking energy: -151.625 Base-Backbone interact. energy: -0.342 local terms energy: -259.973073 where: bonds (distance) C4'-P energy: -65.785 bonds (distance) P-C4' energy: -66.565 flat angles C4'-P-C4' energy: -62.483 flat angles P-C4'-P energy: -40.997 tors. eta vs tors. theta energy: -24.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -471.867129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.867129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.867129 (E_RNA) where: Base-Base interactions energy: -260.379 where: short stacking energy: -131.577 Base-Backbone interact. energy: 1.436 local terms energy: -212.923586 where: bonds (distance) C4'-P energy: -51.898 bonds (distance) P-C4' energy: -74.311 flat angles C4'-P-C4' energy: -49.689 flat angles P-C4'-P energy: -34.040 tors. eta vs tors. theta energy: -2.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1207.699656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.699656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.699656 (E_RNA) where: Base-Base interactions energy: -799.265 where: short stacking energy: -356.846 Base-Backbone interact. energy: -6.471 local terms energy: -401.963542 where: bonds (distance) C4'-P energy: -75.519 bonds (distance) P-C4' energy: -75.313 flat angles C4'-P-C4' energy: -89.116 flat angles P-C4'-P energy: -62.872 tors. eta vs tors. theta energy: -99.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1212.517304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.517304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.517304 (E_RNA) where: Base-Base interactions energy: -831.650 where: short stacking energy: -339.957 Base-Backbone interact. energy: -2.410 local terms energy: -378.457273 where: bonds (distance) C4'-P energy: -68.372 bonds (distance) P-C4' energy: -88.171 flat angles C4'-P-C4' energy: -81.874 flat angles P-C4'-P energy: -52.335 tors. eta vs tors. theta energy: -87.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1123.903316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.903316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.903316 (E_RNA) where: Base-Base interactions energy: -741.435 where: short stacking energy: -319.745 Base-Backbone interact. energy: -1.074 local terms energy: -381.394687 where: bonds (distance) C4'-P energy: -71.858 bonds (distance) P-C4' energy: -80.986 flat angles C4'-P-C4' energy: -80.949 flat angles P-C4'-P energy: -51.832 tors. eta vs tors. theta energy: -95.770 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: 10 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1042.034488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.034488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.034488 (E_RNA) where: Base-Base interactions energy: -694.958 where: short stacking energy: -317.033 Base-Backbone interact. energy: -2.101 local terms energy: -344.975178 where: bonds (distance) C4'-P energy: -70.793 bonds (distance) P-C4' energy: -81.265 flat angles C4'-P-C4' energy: -77.170 flat angles P-C4'-P energy: -45.173 tors. eta vs tors. theta energy: -70.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -977.310386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.310386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.310386 (E_RNA) where: Base-Base interactions energy: -641.040 where: short stacking energy: -302.878 Base-Backbone interact. energy: -3.008 local terms energy: -333.261704 where: bonds (distance) C4'-P energy: -67.693 bonds (distance) P-C4' energy: -74.715 flat angles C4'-P-C4' energy: -79.404 flat angles P-C4'-P energy: -39.015 tors. eta vs tors. theta energy: -72.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -803.404501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.404501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.404501 (E_RNA) where: Base-Base interactions energy: -517.774 where: short stacking energy: -229.879 Base-Backbone interact. energy: -0.457 local terms energy: -285.173882 where: bonds (distance) C4'-P energy: -72.077 bonds (distance) P-C4' energy: -72.801 flat angles C4'-P-C4' energy: -63.181 flat angles P-C4'-P energy: -30.834 tors. eta vs tors. theta energy: -46.281 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: 5 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -757.139842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.139842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.139842 (E_RNA) where: Base-Base interactions energy: -458.557 where: short stacking energy: -240.367 Base-Backbone interact. energy: -0.232 local terms energy: -298.351051 where: bonds (distance) C4'-P energy: -61.958 bonds (distance) P-C4' energy: -77.767 flat angles C4'-P-C4' energy: -64.354 flat angles P-C4'-P energy: -46.439 tors. eta vs tors. theta energy: -47.835 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: 7 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -643.344446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.344446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.344446 (E_RNA) where: Base-Base interactions energy: -356.371 where: short stacking energy: -195.426 Base-Backbone interact. energy: -2.788 local terms energy: -284.185191 where: bonds (distance) C4'-P energy: -73.800 bonds (distance) P-C4' energy: -82.586 flat angles C4'-P-C4' energy: -67.085 flat angles P-C4'-P energy: -28.905 tors. eta vs tors. theta energy: -31.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -468.291278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.291278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.291278 (E_RNA) where: Base-Base interactions energy: -235.685 where: short stacking energy: -133.365 Base-Backbone interact. energy: 0.066 local terms energy: -232.672032 where: bonds (distance) C4'-P energy: -59.758 bonds (distance) P-C4' energy: -73.953 flat angles C4'-P-C4' energy: -52.574 flat angles P-C4'-P energy: -40.016 tors. eta vs tors. theta energy: -6.370 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: 6 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -404.621208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.621208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.621208 (E_RNA) where: Base-Base interactions energy: -213.992 where: short stacking energy: -128.201 Base-Backbone interact. energy: 1.729 local terms energy: -192.358141 where: bonds (distance) C4'-P energy: -53.797 bonds (distance) P-C4' energy: -71.126 flat angles C4'-P-C4' energy: -52.690 flat angles P-C4'-P energy: -21.727 tors. eta vs tors. theta energy: 6.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1223.878458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.878458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.878458 (E_RNA) where: Base-Base interactions energy: -807.326 where: short stacking energy: -372.697 Base-Backbone interact. energy: 0.402 local terms energy: -416.954888 where: bonds (distance) C4'-P energy: -82.752 bonds (distance) P-C4' energy: -80.205 flat angles C4'-P-C4' energy: -91.436 flat angles P-C4'-P energy: -61.369 tors. eta vs tors. theta energy: -101.193 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: 3 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1225.841306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.841306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.841306 (E_RNA) where: Base-Base interactions energy: -850.479 where: short stacking energy: -359.710 Base-Backbone interact. energy: -0.974 local terms energy: -374.387727 where: bonds (distance) C4'-P energy: -75.512 bonds (distance) P-C4' energy: -64.657 flat angles C4'-P-C4' energy: -74.504 flat angles P-C4'-P energy: -61.172 tors. eta vs tors. theta energy: -98.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1143.503135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.503135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.503135 (E_RNA) where: Base-Base interactions energy: -758.162 where: short stacking energy: -364.875 Base-Backbone interact. energy: 1.299 local terms energy: -386.639728 where: bonds (distance) C4'-P energy: -65.347 bonds (distance) P-C4' energy: -75.305 flat angles C4'-P-C4' energy: -86.835 flat angles P-C4'-P energy: -50.780 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: 4, replica: 10 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1073.518234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.518234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.518234 (E_RNA) where: Base-Base interactions energy: -720.519 where: short stacking energy: -309.318 Base-Backbone interact. energy: -2.218 local terms energy: -350.781584 where: bonds (distance) C4'-P energy: -63.967 bonds (distance) P-C4' energy: -73.519 flat angles C4'-P-C4' energy: -88.048 flat angles P-C4'-P energy: -58.286 tors. eta vs tors. theta energy: -66.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -972.782423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.782423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.782423 (E_RNA) where: Base-Base interactions energy: -641.931 where: short stacking energy: -320.937 Base-Backbone interact. energy: -3.073 local terms energy: -327.778315 where: bonds (distance) C4'-P energy: -61.904 bonds (distance) P-C4' energy: -76.465 flat angles C4'-P-C4' energy: -76.316 flat angles P-C4'-P energy: -37.581 tors. eta vs tors. theta energy: -75.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -826.355028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.355028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.355028 (E_RNA) where: Base-Base interactions energy: -514.174 where: short stacking energy: -259.525 Base-Backbone interact. energy: 5.275 local terms energy: -317.456172 where: bonds (distance) C4'-P energy: -68.872 bonds (distance) P-C4' energy: -73.157 flat angles C4'-P-C4' energy: -69.914 flat angles P-C4'-P energy: -37.931 tors. eta vs tors. theta energy: -67.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -720.346911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.346911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.346911 (E_RNA) where: Base-Base interactions energy: -426.287 where: short stacking energy: -234.402 Base-Backbone interact. energy: -2.109 local terms energy: -291.950857 where: bonds (distance) C4'-P energy: -68.065 bonds (distance) P-C4' energy: -67.215 flat angles C4'-P-C4' energy: -70.681 flat angles P-C4'-P energy: -38.592 tors. eta vs tors. theta energy: -47.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -698.142783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.142783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.142783 (E_RNA) where: Base-Base interactions energy: -408.034 where: short stacking energy: -195.847 Base-Backbone interact. energy: -1.233 local terms energy: -288.876104 where: bonds (distance) C4'-P energy: -70.476 bonds (distance) P-C4' energy: -71.402 flat angles C4'-P-C4' energy: -75.148 flat angles P-C4'-P energy: -29.955 tors. eta vs tors. theta energy: -41.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -474.194376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.194376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.194376 (E_RNA) where: Base-Base interactions energy: -237.454 where: short stacking energy: -153.609 Base-Backbone interact. energy: -0.275 local terms energy: -236.465541 where: bonds (distance) C4'-P energy: -57.170 bonds (distance) P-C4' energy: -71.110 flat angles C4'-P-C4' energy: -48.982 flat angles P-C4'-P energy: -46.897 tors. eta vs tors. theta energy: -12.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -416.908239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.908239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.908239 (E_RNA) where: Base-Base interactions energy: -191.966 where: short stacking energy: -92.331 Base-Backbone interact. energy: 1.584 local terms energy: -226.526177 where: bonds (distance) C4'-P energy: -70.441 bonds (distance) P-C4' energy: -81.747 flat angles C4'-P-C4' energy: -59.189 flat angles P-C4'-P energy: -31.886 tors. eta vs tors. theta energy: 16.737 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: 1, replica: 9 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1255.176004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.176004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.176004 (E_RNA) where: Base-Base interactions energy: -838.427 where: short stacking energy: -379.349 Base-Backbone interact. energy: 0.568 local terms energy: -417.317099 where: bonds (distance) C4'-P energy: -82.674 bonds (distance) P-C4' energy: -77.512 flat angles C4'-P-C4' energy: -83.696 flat angles P-C4'-P energy: -67.618 tors. eta vs tors. theta energy: -105.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1283.629247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.629247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.629247 (E_RNA) where: Base-Base interactions energy: -883.644 where: short stacking energy: -380.309 Base-Backbone interact. energy: -0.898 local terms energy: -399.087222 where: bonds (distance) C4'-P energy: -73.696 bonds (distance) P-C4' energy: -75.600 flat angles C4'-P-C4' energy: -89.464 flat angles P-C4'-P energy: -57.391 tors. eta vs tors. theta energy: -102.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1187.669112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.669112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.669112 (E_RNA) where: Base-Base interactions energy: -793.686 where: short stacking energy: -369.375 Base-Backbone interact. energy: -2.119 local terms energy: -391.864412 where: bonds (distance) C4'-P energy: -82.243 bonds (distance) P-C4' energy: -74.705 flat angles C4'-P-C4' energy: -83.978 flat angles P-C4'-P energy: -54.496 tors. eta vs tors. theta energy: -96.444 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: 10 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1060.907449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.907449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.907449 (E_RNA) where: Base-Base interactions energy: -697.702 where: short stacking energy: -318.499 Base-Backbone interact. energy: -2.053 local terms energy: -361.152246 where: bonds (distance) C4'-P energy: -76.475 bonds (distance) P-C4' energy: -74.613 flat angles C4'-P-C4' energy: -74.026 flat angles P-C4'-P energy: -48.697 tors. eta vs tors. theta energy: -87.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1040.260282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.260282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.260282 (E_RNA) where: Base-Base interactions energy: -705.938 where: short stacking energy: -319.809 Base-Backbone interact. energy: -1.517 local terms energy: -332.804883 where: bonds (distance) C4'-P energy: -61.332 bonds (distance) P-C4' energy: -70.782 flat angles C4'-P-C4' energy: -77.185 flat angles P-C4'-P energy: -44.495 tors. eta vs tors. theta energy: -79.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -786.417806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.417806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.417806 (E_RNA) where: Base-Base interactions energy: -483.288 where: short stacking energy: -251.338 Base-Backbone interact. energy: 0.020 local terms energy: -303.149530 where: bonds (distance) C4'-P energy: -50.952 bonds (distance) P-C4' energy: -74.471 flat angles C4'-P-C4' energy: -78.784 flat angles P-C4'-P energy: -48.343 tors. eta vs tors. theta energy: -50.601 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: 5 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -690.127897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.127897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.127897 (E_RNA) where: Base-Base interactions energy: -418.198 where: short stacking energy: -226.564 Base-Backbone interact. energy: -1.992 local terms energy: -269.937942 where: bonds (distance) C4'-P energy: -64.801 bonds (distance) P-C4' energy: -59.947 flat angles C4'-P-C4' energy: -74.697 flat angles P-C4'-P energy: -34.648 tors. eta vs tors. theta energy: -35.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -697.220550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.220550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.220550 (E_RNA) where: Base-Base interactions energy: -419.081 where: short stacking energy: -196.138 Base-Backbone interact. energy: -0.306 local terms energy: -277.833182 where: bonds (distance) C4'-P energy: -68.734 bonds (distance) P-C4' energy: -68.131 flat angles C4'-P-C4' energy: -53.521 flat angles P-C4'-P energy: -48.313 tors. eta vs tors. theta energy: -39.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -481.957452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.957452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.957452 (E_RNA) where: Base-Base interactions energy: -255.297 where: short stacking energy: -146.908 Base-Backbone interact. energy: 1.332 local terms energy: -227.992616 where: bonds (distance) C4'-P energy: -62.273 bonds (distance) P-C4' energy: -72.814 flat angles C4'-P-C4' energy: -60.242 flat angles P-C4'-P energy: -31.780 tors. eta vs tors. theta energy: -0.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -463.825606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.825606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.825606 (E_RNA) where: Base-Base interactions energy: -214.811 where: short stacking energy: -115.028 Base-Backbone interact. energy: -3.717 local terms energy: -245.297937 where: bonds (distance) C4'-P energy: -68.036 bonds (distance) P-C4' energy: -75.748 flat angles C4'-P-C4' energy: -58.791 flat angles P-C4'-P energy: -37.919 tors. eta vs tors. theta energy: -4.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1302.758032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.758032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.758032 (E_RNA) where: Base-Base interactions energy: -877.992 where: short stacking energy: -381.150 Base-Backbone interact. energy: -2.625 local terms energy: -422.140322 where: bonds (distance) C4'-P energy: -90.394 bonds (distance) P-C4' energy: -74.435 flat angles C4'-P-C4' energy: -87.542 flat angles P-C4'-P energy: -63.514 tors. eta vs tors. theta energy: -106.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1226.064094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.064094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.064094 (E_RNA) where: Base-Base interactions energy: -826.911 where: short stacking energy: -383.136 Base-Backbone interact. energy: -0.756 local terms energy: -398.397443 where: bonds (distance) C4'-P energy: -72.382 bonds (distance) P-C4' energy: -77.384 flat angles C4'-P-C4' energy: -84.876 flat angles P-C4'-P energy: -62.070 tors. eta vs tors. theta energy: -101.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1209.771832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.771832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.771832 (E_RNA) where: Base-Base interactions energy: -823.689 where: short stacking energy: -347.878 Base-Backbone interact. energy: -0.888 local terms energy: -385.194696 where: bonds (distance) C4'-P energy: -73.842 bonds (distance) P-C4' energy: -84.405 flat angles C4'-P-C4' energy: -77.026 flat angles P-C4'-P energy: -56.143 tors. eta vs tors. theta energy: -93.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1079.481047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.481047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.481047 (E_RNA) where: Base-Base interactions energy: -688.395 where: short stacking energy: -285.462 Base-Backbone interact. energy: -0.092 local terms energy: -390.994931 where: bonds (distance) C4'-P energy: -81.053 bonds (distance) P-C4' energy: -84.625 flat angles C4'-P-C4' energy: -78.543 flat angles P-C4'-P energy: -63.741 tors. eta vs tors. theta energy: -83.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1033.570024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.570024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.570024 (E_RNA) where: Base-Base interactions energy: -676.137 where: short stacking energy: -307.018 Base-Backbone interact. energy: -0.643 local terms energy: -356.790673 where: bonds (distance) C4'-P energy: -80.708 bonds (distance) P-C4' energy: -68.717 flat angles C4'-P-C4' energy: -86.123 flat angles P-C4'-P energy: -42.900 tors. eta vs tors. theta energy: -78.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -810.546252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.546252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.546252 (E_RNA) where: Base-Base interactions energy: -507.290 where: short stacking energy: -266.584 Base-Backbone interact. energy: -0.463 local terms energy: -302.793851 where: bonds (distance) C4'-P energy: -70.660 bonds (distance) P-C4' energy: -68.990 flat angles C4'-P-C4' energy: -78.100 flat angles P-C4'-P energy: -33.858 tors. eta vs tors. theta energy: -51.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -720.601060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.601060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.601060 (E_RNA) where: Base-Base interactions energy: -439.477 where: short stacking energy: -219.477 Base-Backbone interact. energy: -1.703 local terms energy: -279.421258 where: bonds (distance) C4'-P energy: -66.372 bonds (distance) P-C4' energy: -72.944 flat angles C4'-P-C4' energy: -58.827 flat angles P-C4'-P energy: -40.444 tors. eta vs tors. theta energy: -40.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -732.616546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.616546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.616546 (E_RNA) where: Base-Base interactions energy: -437.761 where: short stacking energy: -215.459 Base-Backbone interact. energy: -1.998 local terms energy: -292.856859 where: bonds (distance) C4'-P energy: -70.411 bonds (distance) P-C4' energy: -66.583 flat angles C4'-P-C4' energy: -77.360 flat angles P-C4'-P energy: -33.502 tors. eta vs tors. theta energy: -45.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -489.932146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.932146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.932146 (E_RNA) where: Base-Base interactions energy: -229.705 where: short stacking energy: -135.271 Base-Backbone interact. energy: -0.604 local terms energy: -259.622814 where: bonds (distance) C4'-P energy: -68.733 bonds (distance) P-C4' energy: -62.605 flat angles C4'-P-C4' energy: -72.330 flat angles P-C4'-P energy: -47.371 tors. eta vs tors. theta energy: -8.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -491.597536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.597536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.597536 (E_RNA) where: Base-Base interactions energy: -286.213 where: short stacking energy: -167.871 Base-Backbone interact. energy: 1.284 local terms energy: -206.668771 where: bonds (distance) C4'-P energy: -60.200 bonds (distance) P-C4' energy: -67.517 flat angles C4'-P-C4' energy: -39.378 flat angles P-C4'-P energy: -30.405 tors. eta vs tors. theta energy: -9.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1287.204981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.204981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.204981 (E_RNA) where: Base-Base interactions energy: -881.855 where: short stacking energy: -374.207 Base-Backbone interact. energy: -0.414 local terms energy: -404.935372 where: bonds (distance) C4'-P energy: -76.690 bonds (distance) P-C4' energy: -91.365 flat angles C4'-P-C4' energy: -79.806 flat angles P-C4'-P energy: -51.734 tors. eta vs tors. theta energy: -105.340 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: 2, replica: 9 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1211.346226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.346226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.346226 (E_RNA) where: Base-Base interactions energy: -816.417 where: short stacking energy: -370.048 Base-Backbone interact. energy: -2.550 local terms energy: -392.379537 where: bonds (distance) C4'-P energy: -76.408 bonds (distance) P-C4' energy: -77.880 flat angles C4'-P-C4' energy: -90.058 flat angles P-C4'-P energy: -51.228 tors. eta vs tors. theta energy: -96.805 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: 8 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1232.583613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.583613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.583613 (E_RNA) where: Base-Base interactions energy: -834.663 where: short stacking energy: -367.397 Base-Backbone interact. energy: 0.129 local terms energy: -398.049375 where: bonds (distance) C4'-P energy: -67.367 bonds (distance) P-C4' energy: -79.092 flat angles C4'-P-C4' energy: -90.365 flat angles P-C4'-P energy: -59.081 tors. eta vs tors. theta energy: -102.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1086.217484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.217484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.217484 (E_RNA) where: Base-Base interactions energy: -707.945 where: short stacking energy: -325.747 Base-Backbone interact. energy: -0.661 local terms energy: -377.612227 where: bonds (distance) C4'-P energy: -67.824 bonds (distance) P-C4' energy: -81.786 flat angles C4'-P-C4' energy: -78.546 flat angles P-C4'-P energy: -57.582 tors. eta vs tors. theta energy: -91.875 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: 1 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1072.591725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.591725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.591725 (E_RNA) where: Base-Base interactions energy: -709.733 where: short stacking energy: -329.090 Base-Backbone interact. energy: -2.025 local terms energy: -360.833535 where: bonds (distance) C4'-P energy: -64.551 bonds (distance) P-C4' energy: -70.509 flat angles C4'-P-C4' energy: -84.947 flat angles P-C4'-P energy: -52.127 tors. eta vs tors. theta energy: -88.700 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: 4 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -805.186399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.186399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.186399 (E_RNA) where: Base-Base interactions energy: -490.969 where: short stacking energy: -228.002 Base-Backbone interact. energy: -2.876 local terms energy: -311.341873 where: bonds (distance) C4'-P energy: -78.005 bonds (distance) P-C4' energy: -77.379 flat angles C4'-P-C4' energy: -78.055 flat angles P-C4'-P energy: -33.460 tors. eta vs tors. theta energy: -44.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -681.112160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.112160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.112160 (E_RNA) where: Base-Base interactions energy: -392.224 where: short stacking energy: -188.934 Base-Backbone interact. energy: 3.674 local terms energy: -292.562157 where: bonds (distance) C4'-P energy: -67.262 bonds (distance) P-C4' energy: -75.331 flat angles C4'-P-C4' energy: -78.281 flat angles P-C4'-P energy: -44.046 tors. eta vs tors. theta energy: -27.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -670.905618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.905618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.905618 (E_RNA) where: Base-Base interactions energy: -398.815 where: short stacking energy: -178.243 Base-Backbone interact. energy: -2.571 local terms energy: -269.520156 where: bonds (distance) C4'-P energy: -66.180 bonds (distance) P-C4' energy: -82.069 flat angles C4'-P-C4' energy: -68.252 flat angles P-C4'-P energy: -37.890 tors. eta vs tors. theta energy: -15.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -476.878080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.878080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.878080 (E_RNA) where: Base-Base interactions energy: -264.850 where: short stacking energy: -142.808 Base-Backbone interact. energy: -1.031 local terms energy: -210.996878 where: bonds (distance) C4'-P energy: -55.161 bonds (distance) P-C4' energy: -71.286 flat angles C4'-P-C4' energy: -53.567 flat angles P-C4'-P energy: -27.439 tors. eta vs tors. theta energy: -3.543 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: 10, replica: 2 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -505.112905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.112905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.112905 (E_RNA) where: Base-Base interactions energy: -262.624 where: short stacking energy: -164.752 Base-Backbone interact. energy: -1.167 local terms energy: -241.322427 where: bonds (distance) C4'-P energy: -68.708 bonds (distance) P-C4' energy: -67.974 flat angles C4'-P-C4' energy: -67.806 flat angles P-C4'-P energy: -31.667 tors. eta vs tors. theta energy: -5.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1271.749256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.749256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.749256 (E_RNA) where: Base-Base interactions energy: -859.898 where: short stacking energy: -369.250 Base-Backbone interact. energy: -0.592 local terms energy: -411.259224 where: bonds (distance) C4'-P energy: -67.236 bonds (distance) P-C4' energy: -90.260 flat angles C4'-P-C4' energy: -81.501 flat angles P-C4'-P energy: -65.466 tors. eta vs tors. theta energy: -106.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1228.269890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.269890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.269890 (E_RNA) where: Base-Base interactions energy: -844.587 where: short stacking energy: -365.195 Base-Backbone interact. energy: -3.951 local terms energy: -379.731918 where: bonds (distance) C4'-P energy: -73.803 bonds (distance) P-C4' energy: -68.859 flat angles C4'-P-C4' energy: -84.957 flat angles P-C4'-P energy: -54.062 tors. eta vs tors. theta energy: -98.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1201.617029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.617029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.617029 (E_RNA) where: Base-Base interactions energy: -816.127 where: short stacking energy: -336.680 Base-Backbone interact. energy: -2.378 local terms energy: -383.112824 where: bonds (distance) C4'-P energy: -73.321 bonds (distance) P-C4' energy: -81.394 flat angles C4'-P-C4' energy: -85.818 flat angles P-C4'-P energy: -49.181 tors. eta vs tors. theta energy: -93.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1059.237514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.237514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.237514 (E_RNA) where: Base-Base interactions energy: -706.286 where: short stacking energy: -310.706 Base-Backbone interact. energy: -0.002 local terms energy: -352.949249 where: bonds (distance) C4'-P energy: -62.174 bonds (distance) P-C4' energy: -80.701 flat angles C4'-P-C4' energy: -83.104 flat angles P-C4'-P energy: -50.547 tors. eta vs tors. theta energy: -76.423 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: 1 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1068.863384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.863384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.863384 (E_RNA) where: Base-Base interactions energy: -698.894 where: short stacking energy: -327.804 Base-Backbone interact. energy: -0.335 local terms energy: -369.634474 where: bonds (distance) C4'-P energy: -70.971 bonds (distance) P-C4' energy: -73.733 flat angles C4'-P-C4' energy: -79.206 flat angles P-C4'-P energy: -46.765 tors. eta vs tors. theta energy: -98.960 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: 4 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -842.013735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.013735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.013735 (E_RNA) where: Base-Base interactions energy: -534.064 where: short stacking energy: -252.050 Base-Backbone interact. energy: -0.645 local terms energy: -307.304496 where: bonds (distance) C4'-P energy: -71.137 bonds (distance) P-C4' energy: -71.419 flat angles C4'-P-C4' energy: -72.914 flat angles P-C4'-P energy: -34.266 tors. eta vs tors. theta energy: -57.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -736.913431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.913431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.913431 (E_RNA) where: Base-Base interactions energy: -470.331 where: short stacking energy: -235.351 Base-Backbone interact. energy: -1.192 local terms energy: -265.389698 where: bonds (distance) C4'-P energy: -68.135 bonds (distance) P-C4' energy: -76.324 flat angles C4'-P-C4' energy: -56.802 flat angles P-C4'-P energy: -35.162 tors. eta vs tors. theta energy: -28.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -665.497465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.497465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.497465 (E_RNA) where: Base-Base interactions energy: -397.321 where: short stacking energy: -201.483 Base-Backbone interact. energy: 1.376 local terms energy: -269.553332 where: bonds (distance) C4'-P energy: -66.319 bonds (distance) P-C4' energy: -68.830 flat angles C4'-P-C4' energy: -66.626 flat angles P-C4'-P energy: -44.101 tors. eta vs tors. theta energy: -23.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -520.592989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.592989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.592989 (E_RNA) where: Base-Base interactions energy: -268.503 where: short stacking energy: -143.218 Base-Backbone interact. energy: 4.146 local terms energy: -256.236076 where: bonds (distance) C4'-P energy: -73.906 bonds (distance) P-C4' energy: -67.105 flat angles C4'-P-C4' energy: -65.475 flat angles P-C4'-P energy: -27.470 tors. eta vs tors. theta energy: -22.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -488.309159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.309159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.309159 (E_RNA) where: Base-Base interactions energy: -247.349 where: short stacking energy: -153.872 Base-Backbone interact. energy: -0.743 local terms energy: -240.217807 where: bonds (distance) C4'-P energy: -53.267 bonds (distance) P-C4' energy: -68.094 flat angles C4'-P-C4' energy: -55.928 flat angles P-C4'-P energy: -45.495 tors. eta vs tors. theta energy: -17.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1279.623986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.623986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.623986 (E_RNA) where: Base-Base interactions energy: -867.091 where: short stacking energy: -378.141 Base-Backbone interact. energy: -2.966 local terms energy: -409.567628 where: bonds (distance) C4'-P energy: -69.102 bonds (distance) P-C4' energy: -87.964 flat angles C4'-P-C4' energy: -91.927 flat angles P-C4'-P energy: -60.490 tors. eta vs tors. theta energy: -100.084 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: 2, replica: 9 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1266.576493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.576493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.576493 (E_RNA) where: Base-Base interactions energy: -854.773 where: short stacking energy: -367.022 Base-Backbone interact. energy: 1.270 local terms energy: -413.073459 where: bonds (distance) C4'-P energy: -83.651 bonds (distance) P-C4' energy: -89.880 flat angles C4'-P-C4' energy: -84.499 flat angles P-C4'-P energy: -55.369 tors. eta vs tors. theta energy: -99.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1188.372774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.372774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.372774 (E_RNA) where: Base-Base interactions energy: -820.989 where: short stacking energy: -338.868 Base-Backbone interact. energy: -2.879 local terms energy: -364.504635 where: bonds (distance) C4'-P energy: -74.188 bonds (distance) P-C4' energy: -70.391 flat angles C4'-P-C4' energy: -83.947 flat angles P-C4'-P energy: -51.799 tors. eta vs tors. theta energy: -84.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1061.087549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.087549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.087549 (E_RNA) where: Base-Base interactions energy: -697.035 where: short stacking energy: -330.251 Base-Backbone interact. energy: -1.118 local terms energy: -362.935316 where: bonds (distance) C4'-P energy: -71.442 bonds (distance) P-C4' energy: -70.300 flat angles C4'-P-C4' energy: -79.104 flat angles P-C4'-P energy: -46.500 tors. eta vs tors. theta energy: -95.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1020.941229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.941229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.941229 (E_RNA) where: Base-Base interactions energy: -669.269 where: short stacking energy: -308.341 Base-Backbone interact. energy: -1.493 local terms energy: -350.179338 where: bonds (distance) C4'-P energy: -59.780 bonds (distance) P-C4' energy: -79.172 flat angles C4'-P-C4' energy: -72.595 flat angles P-C4'-P energy: -47.098 tors. eta vs tors. theta energy: -91.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -819.070057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.070057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.070057 (E_RNA) where: Base-Base interactions energy: -512.793 where: short stacking energy: -237.900 Base-Backbone interact. energy: 2.007 local terms energy: -308.283821 where: bonds (distance) C4'-P energy: -71.174 bonds (distance) P-C4' energy: -65.200 flat angles C4'-P-C4' energy: -77.573 flat angles P-C4'-P energy: -43.439 tors. eta vs tors. theta energy: -50.897 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: 5 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -752.557982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.557982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.557982 (E_RNA) where: Base-Base interactions energy: -462.768 where: short stacking energy: -245.379 Base-Backbone interact. energy: 4.277 local terms energy: -294.066649 where: bonds (distance) C4'-P energy: -75.422 bonds (distance) P-C4' energy: -72.177 flat angles C4'-P-C4' energy: -64.596 flat angles P-C4'-P energy: -44.757 tors. eta vs tors. theta energy: -37.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -637.816495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.816495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.816495 (E_RNA) where: Base-Base interactions energy: -366.456 where: short stacking energy: -197.923 Base-Backbone interact. energy: -2.200 local terms energy: -269.159874 where: bonds (distance) C4'-P energy: -55.525 bonds (distance) P-C4' energy: -64.280 flat angles C4'-P-C4' energy: -69.451 flat angles P-C4'-P energy: -46.193 tors. eta vs tors. theta energy: -33.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -520.973508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.973508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.973508 (E_RNA) where: Base-Base interactions energy: -282.048 where: short stacking energy: -149.609 Base-Backbone interact. energy: -2.069 local terms energy: -236.855790 where: bonds (distance) C4'-P energy: -62.414 bonds (distance) P-C4' energy: -65.629 flat angles C4'-P-C4' energy: -55.702 flat angles P-C4'-P energy: -37.107 tors. eta vs tors. theta energy: -16.005 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: 6 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -465.100138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.100138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.100138 (E_RNA) where: Base-Base interactions energy: -234.653 where: short stacking energy: -124.725 Base-Backbone interact. energy: -0.557 local terms energy: -229.889521 where: bonds (distance) C4'-P energy: -50.878 bonds (distance) P-C4' energy: -74.191 flat angles C4'-P-C4' energy: -61.805 flat angles P-C4'-P energy: -35.890 tors. eta vs tors. theta energy: -7.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1319.637160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.637160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.637160 (E_RNA) where: Base-Base interactions energy: -924.677 where: short stacking energy: -388.394 Base-Backbone interact. energy: -2.912 local terms energy: -392.048589 where: bonds (distance) C4'-P energy: -66.393 bonds (distance) P-C4' energy: -72.418 flat angles C4'-P-C4' energy: -85.811 flat angles P-C4'-P energy: -59.733 tors. eta vs tors. theta energy: -107.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1252.514474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.514474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.514474 (E_RNA) where: Base-Base interactions energy: -846.278 where: short stacking energy: -358.758 Base-Backbone interact. energy: -2.206 local terms energy: -404.029938 where: bonds (distance) C4'-P energy: -72.610 bonds (distance) P-C4' energy: -87.328 flat angles C4'-P-C4' energy: -88.341 flat angles P-C4'-P energy: -56.160 tors. eta vs tors. theta energy: -99.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1201.957197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.957197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.957197 (E_RNA) where: Base-Base interactions energy: -811.173 where: short stacking energy: -350.519 Base-Backbone interact. energy: -2.288 local terms energy: -388.495976 where: bonds (distance) C4'-P energy: -76.206 bonds (distance) P-C4' energy: -78.506 flat angles C4'-P-C4' energy: -85.508 flat angles P-C4'-P energy: -57.958 tors. eta vs tors. theta energy: -90.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1029.321377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.321377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.321377 (E_RNA) where: Base-Base interactions energy: -682.705 where: short stacking energy: -309.262 Base-Backbone interact. energy: -0.510 local terms energy: -346.106573 where: bonds (distance) C4'-P energy: -65.276 bonds (distance) P-C4' energy: -71.711 flat angles C4'-P-C4' energy: -79.988 flat angles P-C4'-P energy: -54.479 tors. eta vs tors. theta energy: -74.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1048.913007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.913007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.913007 (E_RNA) where: Base-Base interactions energy: -691.532 where: short stacking energy: -311.995 Base-Backbone interact. energy: 1.032 local terms energy: -358.412754 where: bonds (distance) C4'-P energy: -75.506 bonds (distance) P-C4' energy: -78.978 flat angles C4'-P-C4' energy: -73.221 flat angles P-C4'-P energy: -58.278 tors. eta vs tors. theta energy: -72.430 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: 4 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -839.122308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.122308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.122308 (E_RNA) where: Base-Base interactions energy: -515.148 where: short stacking energy: -274.558 Base-Backbone interact. energy: 1.786 local terms energy: -325.760506 where: bonds (distance) C4'-P energy: -63.130 bonds (distance) P-C4' energy: -79.618 flat angles C4'-P-C4' energy: -65.366 flat angles P-C4'-P energy: -48.440 tors. eta vs tors. theta energy: -69.208 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: 5 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -763.921430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.921430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.921430 (E_RNA) where: Base-Base interactions energy: -473.982 where: short stacking energy: -229.855 Base-Backbone interact. energy: -2.067 local terms energy: -287.872499 where: bonds (distance) C4'-P energy: -65.380 bonds (distance) P-C4' energy: -71.010 flat angles C4'-P-C4' energy: -67.517 flat angles P-C4'-P energy: -36.282 tors. eta vs tors. theta energy: -47.685 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: 7 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -656.100687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.100687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.100687 (E_RNA) where: Base-Base interactions energy: -410.920 where: short stacking energy: -218.077 Base-Backbone interact. energy: -0.050 local terms energy: -245.130881 where: bonds (distance) C4'-P energy: -50.695 bonds (distance) P-C4' energy: -64.561 flat angles C4'-P-C4' energy: -62.698 flat angles P-C4'-P energy: -32.317 tors. eta vs tors. theta energy: -34.860 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: 6 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -516.205246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.205246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.205246 (E_RNA) where: Base-Base interactions energy: -261.436 where: short stacking energy: -158.209 Base-Backbone interact. energy: -1.506 local terms energy: -253.263825 where: bonds (distance) C4'-P energy: -72.449 bonds (distance) P-C4' energy: -59.016 flat angles C4'-P-C4' energy: -61.850 flat angles P-C4'-P energy: -33.319 tors. eta vs tors. theta energy: -26.630 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: 2 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -494.304841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.304841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.304841 (E_RNA) where: Base-Base interactions energy: -261.179 where: short stacking energy: -139.195 Base-Backbone interact. energy: -1.376 local terms energy: -231.749774 where: bonds (distance) C4'-P energy: -59.565 bonds (distance) P-C4' energy: -63.600 flat angles C4'-P-C4' energy: -58.724 flat angles P-C4'-P energy: -27.661 tors. eta vs tors. theta energy: -22.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1307.769992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.769992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.769992 (E_RNA) where: Base-Base interactions energy: -900.351 where: short stacking energy: -398.501 Base-Backbone interact. energy: 1.002 local terms energy: -408.420617 where: bonds (distance) C4'-P energy: -81.235 bonds (distance) P-C4' energy: -71.105 flat angles C4'-P-C4' energy: -82.851 flat angles P-C4'-P energy: -66.164 tors. eta vs tors. theta energy: -107.066 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: 2, replica: 3 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1242.101701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.101701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.101701 (E_RNA) where: Base-Base interactions energy: -827.113 where: short stacking energy: -345.916 Base-Backbone interact. energy: -2.908 local terms energy: -412.080575 where: bonds (distance) C4'-P energy: -75.656 bonds (distance) P-C4' energy: -91.752 flat angles C4'-P-C4' energy: -89.524 flat angles P-C4'-P energy: -60.591 tors. eta vs tors. theta energy: -94.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1166.474418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.474418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.474418 (E_RNA) where: Base-Base interactions energy: -800.122 where: short stacking energy: -349.412 Base-Backbone interact. energy: -2.025 local terms energy: -364.327530 where: bonds (distance) C4'-P energy: -78.058 bonds (distance) P-C4' energy: -65.570 flat angles C4'-P-C4' energy: -82.341 flat angles P-C4'-P energy: -48.647 tors. eta vs tors. theta energy: -89.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1049.736800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.736800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.736800 (E_RNA) where: Base-Base interactions energy: -672.340 where: short stacking energy: -314.526 Base-Backbone interact. energy: -2.978 local terms energy: -374.418223 where: bonds (distance) C4'-P energy: -77.841 bonds (distance) P-C4' energy: -79.430 flat angles C4'-P-C4' energy: -82.778 flat angles P-C4'-P energy: -45.516 tors. eta vs tors. theta energy: -88.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1002.426401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.426401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.426401 (E_RNA) where: Base-Base interactions energy: -656.301 where: short stacking energy: -303.853 Base-Backbone interact. energy: -0.694 local terms energy: -345.431269 where: bonds (distance) C4'-P energy: -69.041 bonds (distance) P-C4' energy: -67.225 flat angles C4'-P-C4' energy: -75.151 flat angles P-C4'-P energy: -51.619 tors. eta vs tors. theta energy: -82.396 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: 5 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -804.154048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.154048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.154048 (E_RNA) where: Base-Base interactions energy: -506.749 where: short stacking energy: -248.274 Base-Backbone interact. energy: -0.107 local terms energy: -297.298323 where: bonds (distance) C4'-P energy: -65.584 bonds (distance) P-C4' energy: -61.420 flat angles C4'-P-C4' energy: -72.236 flat angles P-C4'-P energy: -40.030 tors. eta vs tors. theta energy: -58.028 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: 7, replica: 4 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -787.208019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.208019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.208019 (E_RNA) where: Base-Base interactions energy: -449.728 where: short stacking energy: -221.850 Base-Backbone interact. energy: 4.785 local terms energy: -342.265950 where: bonds (distance) C4'-P energy: -74.278 bonds (distance) P-C4' energy: -79.609 flat angles C4'-P-C4' energy: -70.613 flat angles P-C4'-P energy: -57.367 tors. eta vs tors. theta energy: -60.399 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: 7 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -667.510672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.510672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.510672 (E_RNA) where: Base-Base interactions energy: -399.377 where: short stacking energy: -193.879 Base-Backbone interact. energy: -1.204 local terms energy: -266.929268 where: bonds (distance) C4'-P energy: -61.168 bonds (distance) P-C4' energy: -69.774 flat angles C4'-P-C4' energy: -66.599 flat angles P-C4'-P energy: -44.630 tors. eta vs tors. theta energy: -24.759 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: 9, replica: 6 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -484.454815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.454815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.454815 (E_RNA) where: Base-Base interactions energy: -250.474 where: short stacking energy: -140.081 Base-Backbone interact. energy: -2.142 local terms energy: -231.839199 where: bonds (distance) C4'-P energy: -61.613 bonds (distance) P-C4' energy: -54.575 flat angles C4'-P-C4' energy: -64.434 flat angles P-C4'-P energy: -42.904 tors. eta vs tors. theta energy: -8.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -481.674757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.674757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.674757 (E_RNA) where: Base-Base interactions energy: -266.564 where: short stacking energy: -141.064 Base-Backbone interact. energy: -2.837 local terms energy: -212.273777 where: bonds (distance) C4'-P energy: -59.433 bonds (distance) P-C4' energy: -78.572 flat angles C4'-P-C4' energy: -57.263 flat angles P-C4'-P energy: -21.643 tors. eta vs tors. theta energy: 4.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1305.077236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.077236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.077236 (E_RNA) where: Base-Base interactions energy: -878.998 where: short stacking energy: -390.057 Base-Backbone interact. energy: -2.878 local terms energy: -423.200879 where: bonds (distance) C4'-P energy: -86.497 bonds (distance) P-C4' energy: -88.986 flat angles C4'-P-C4' energy: -90.389 flat angles P-C4'-P energy: -51.182 tors. eta vs tors. theta energy: -106.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1259.235176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.235176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.235176 (E_RNA) where: Base-Base interactions energy: -866.981 where: short stacking energy: -366.828 Base-Backbone interact. energy: -0.207 local terms energy: -392.046818 where: bonds (distance) C4'-P energy: -63.493 bonds (distance) P-C4' energy: -73.513 flat angles C4'-P-C4' energy: -86.490 flat angles P-C4'-P energy: -63.761 tors. eta vs tors. theta energy: -104.790 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: 3, replica: 8 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1178.147252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.147252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.147252 (E_RNA) where: Base-Base interactions energy: -795.794 where: short stacking energy: -345.459 Base-Backbone interact. energy: 0.955 local terms energy: -383.308357 where: bonds (distance) C4'-P energy: -69.939 bonds (distance) P-C4' energy: -83.860 flat angles C4'-P-C4' energy: -75.237 flat angles P-C4'-P energy: -60.264 tors. eta vs tors. theta energy: -94.009 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: 10 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1054.611098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.611098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.611098 (E_RNA) where: Base-Base interactions energy: -722.044 where: short stacking energy: -325.014 Base-Backbone interact. energy: 1.419 local terms energy: -333.985482 where: bonds (distance) C4'-P energy: -60.678 bonds (distance) P-C4' energy: -59.561 flat angles C4'-P-C4' energy: -83.156 flat angles P-C4'-P energy: -47.905 tors. eta vs tors. theta energy: -82.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1039.531234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.531234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.531234 (E_RNA) where: Base-Base interactions energy: -677.921 where: short stacking energy: -331.715 Base-Backbone interact. energy: -1.640 local terms energy: -359.970073 where: bonds (distance) C4'-P energy: -71.594 bonds (distance) P-C4' energy: -73.244 flat angles C4'-P-C4' energy: -75.509 flat angles P-C4'-P energy: -57.402 tors. eta vs tors. theta energy: -82.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -811.770664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.770664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.770664 (E_RNA) where: Base-Base interactions energy: -495.761 where: short stacking energy: -261.242 Base-Backbone interact. energy: -1.952 local terms energy: -314.057621 where: bonds (distance) C4'-P energy: -75.138 bonds (distance) P-C4' energy: -74.210 flat angles C4'-P-C4' energy: -74.894 flat angles P-C4'-P energy: -35.299 tors. eta vs tors. theta energy: -54.516 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: 4 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -767.159710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.159710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.159710 (E_RNA) where: Base-Base interactions energy: -479.321 where: short stacking energy: -244.847 Base-Backbone interact. energy: -1.512 local terms energy: -286.326433 where: bonds (distance) C4'-P energy: -58.392 bonds (distance) P-C4' energy: -69.501 flat angles C4'-P-C4' energy: -70.472 flat angles P-C4'-P energy: -32.510 tors. eta vs tors. theta energy: -55.453 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: 8, replica: 7 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -642.886911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.886911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.886911 (E_RNA) where: Base-Base interactions energy: -375.878 where: short stacking energy: -166.877 Base-Backbone interact. energy: -0.373 local terms energy: -266.635646 where: bonds (distance) C4'-P energy: -72.930 bonds (distance) P-C4' energy: -72.501 flat angles C4'-P-C4' energy: -71.768 flat angles P-C4'-P energy: -27.863 tors. eta vs tors. theta energy: -21.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -524.383920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.383920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.383920 (E_RNA) where: Base-Base interactions energy: -252.704 where: short stacking energy: -137.559 Base-Backbone interact. energy: 0.468 local terms energy: -272.147334 where: bonds (distance) C4'-P energy: -67.372 bonds (distance) P-C4' energy: -79.374 flat angles C4'-P-C4' energy: -66.670 flat angles P-C4'-P energy: -43.483 tors. eta vs tors. theta energy: -15.248 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: 6 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -498.950870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.950870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.950870 (E_RNA) where: Base-Base interactions energy: -266.358 where: short stacking energy: -156.830 Base-Backbone interact. energy: -2.022 local terms energy: -230.571411 where: bonds (distance) C4'-P energy: -55.061 bonds (distance) P-C4' energy: -66.626 flat angles C4'-P-C4' energy: -59.463 flat angles P-C4'-P energy: -29.023 tors. eta vs tors. theta energy: -20.398 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: 1, replica: 9 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1320.127591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.127591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.127591 (E_RNA) where: Base-Base interactions energy: -891.776 where: short stacking energy: -402.535 Base-Backbone interact. energy: -1.835 local terms energy: -426.516734 where: bonds (distance) C4'-P energy: -86.874 bonds (distance) P-C4' energy: -82.320 flat angles C4'-P-C4' energy: -84.454 flat angles P-C4'-P energy: -60.879 tors. eta vs tors. theta energy: -111.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1268.449083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.449083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.449083 (E_RNA) where: Base-Base interactions energy: -871.955 where: short stacking energy: -350.035 Base-Backbone interact. energy: 1.447 local terms energy: -397.941145 where: bonds (distance) C4'-P energy: -64.537 bonds (distance) P-C4' energy: -92.318 flat angles C4'-P-C4' energy: -80.760 flat angles P-C4'-P energy: -63.980 tors. eta vs tors. theta energy: -96.345 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: 8 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1204.172836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.172836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.172836 (E_RNA) where: Base-Base interactions energy: -824.065 where: short stacking energy: -343.940 Base-Backbone interact. energy: -1.122 local terms energy: -378.985100 where: bonds (distance) C4'-P energy: -68.419 bonds (distance) P-C4' energy: -83.970 flat angles C4'-P-C4' energy: -74.616 flat angles P-C4'-P energy: -59.602 tors. eta vs tors. theta energy: -92.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1090.342705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.342705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.342705 (E_RNA) where: Base-Base interactions energy: -722.496 where: short stacking energy: -334.876 Base-Backbone interact. energy: -0.386 local terms energy: -367.460267 where: bonds (distance) C4'-P energy: -67.916 bonds (distance) P-C4' energy: -77.794 flat angles C4'-P-C4' energy: -76.430 flat angles P-C4'-P energy: -54.793 tors. eta vs tors. theta energy: -90.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -989.025103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.025103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.025103 (E_RNA) where: Base-Base interactions energy: -656.067 where: short stacking energy: -302.472 Base-Backbone interact. energy: 0.611 local terms energy: -333.569070 where: bonds (distance) C4'-P energy: -60.399 bonds (distance) P-C4' energy: -76.264 flat angles C4'-P-C4' energy: -77.361 flat angles P-C4'-P energy: -44.968 tors. eta vs tors. theta energy: -74.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -829.156380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.156380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.156380 (E_RNA) where: Base-Base interactions energy: -514.276 where: short stacking energy: -240.170 Base-Backbone interact. energy: -0.478 local terms energy: -314.402839 where: bonds (distance) C4'-P energy: -69.111 bonds (distance) P-C4' energy: -75.266 flat angles C4'-P-C4' energy: -68.226 flat angles P-C4'-P energy: -39.796 tors. eta vs tors. theta energy: -62.004 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: 4 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -763.145072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.145072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.145072 (E_RNA) where: Base-Base interactions energy: -453.564 where: short stacking energy: -240.882 Base-Backbone interact. energy: 0.723 local terms energy: -310.303906 where: bonds (distance) C4'-P energy: -73.291 bonds (distance) P-C4' energy: -76.769 flat angles C4'-P-C4' energy: -53.179 flat angles P-C4'-P energy: -50.372 tors. eta vs tors. theta energy: -56.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -636.951870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.951870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.951870 (E_RNA) where: Base-Base interactions energy: -379.194 where: short stacking energy: -184.265 Base-Backbone interact. energy: -1.383 local terms energy: -256.375408 where: bonds (distance) C4'-P energy: -43.816 bonds (distance) P-C4' energy: -71.264 flat angles C4'-P-C4' energy: -65.216 flat angles P-C4'-P energy: -46.183 tors. eta vs tors. theta energy: -29.897 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: 2 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -481.369007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.369007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.369007 (E_RNA) where: Base-Base interactions energy: -256.007 where: short stacking energy: -146.504 Base-Backbone interact. energy: -0.784 local terms energy: -224.578333 where: bonds (distance) C4'-P energy: -64.885 bonds (distance) P-C4' energy: -76.695 flat angles C4'-P-C4' energy: -49.477 flat angles P-C4'-P energy: -37.466 tors. eta vs tors. theta energy: 3.944 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: 6 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -471.696637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.696637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.696637 (E_RNA) where: Base-Base interactions energy: -262.436 where: short stacking energy: -151.936 Base-Backbone interact. energy: -1.477 local terms energy: -207.783715 where: bonds (distance) C4'-P energy: -62.327 bonds (distance) P-C4' energy: -60.193 flat angles C4'-P-C4' energy: -63.025 flat angles P-C4'-P energy: -21.914 tors. eta vs tors. theta energy: -0.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1312.693012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.693012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.693012 (E_RNA) where: Base-Base interactions energy: -897.630 where: short stacking energy: -375.729 Base-Backbone interact. energy: -4.797 local terms energy: -410.266651 where: bonds (distance) C4'-P energy: -81.661 bonds (distance) P-C4' energy: -79.807 flat angles C4'-P-C4' energy: -85.807 flat angles P-C4'-P energy: -53.839 tors. eta vs tors. theta energy: -109.153 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: 3 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1273.633338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.633338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.633338 (E_RNA) where: Base-Base interactions energy: -867.473 where: short stacking energy: -373.752 Base-Backbone interact. energy: 0.034 local terms energy: -406.194756 where: bonds (distance) C4'-P energy: -73.544 bonds (distance) P-C4' energy: -84.248 flat angles C4'-P-C4' energy: -91.259 flat angles P-C4'-P energy: -52.159 tors. eta vs tors. theta energy: -104.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1189.491077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.491077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.491077 (E_RNA) where: Base-Base interactions energy: -797.337 where: short stacking energy: -343.735 Base-Backbone interact. energy: 0.460 local terms energy: -392.613919 where: bonds (distance) C4'-P energy: -76.202 bonds (distance) P-C4' energy: -75.404 flat angles C4'-P-C4' energy: -88.088 flat angles P-C4'-P energy: -56.267 tors. eta vs tors. theta energy: -96.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1074.875609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.875609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.875609 (E_RNA) where: Base-Base interactions energy: -723.276 where: short stacking energy: -345.191 Base-Backbone interact. energy: 3.650 local terms energy: -355.249566 where: bonds (distance) C4'-P energy: -65.040 bonds (distance) P-C4' energy: -74.826 flat angles C4'-P-C4' energy: -78.685 flat angles P-C4'-P energy: -48.643 tors. eta vs tors. theta energy: -88.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1055.528054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.528054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.528054 (E_RNA) where: Base-Base interactions energy: -687.543 where: short stacking energy: -343.115 Base-Backbone interact. energy: -1.857 local terms energy: -366.128651 where: bonds (distance) C4'-P energy: -65.355 bonds (distance) P-C4' energy: -80.821 flat angles C4'-P-C4' energy: -91.536 flat angles P-C4'-P energy: -41.907 tors. eta vs tors. theta energy: -86.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -773.998602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.998602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.998602 (E_RNA) where: Base-Base interactions energy: -469.588 where: short stacking energy: -239.369 Base-Backbone interact. energy: -2.168 local terms energy: -302.242557 where: bonds (distance) C4'-P energy: -71.952 bonds (distance) P-C4' energy: -72.567 flat angles C4'-P-C4' energy: -74.956 flat angles P-C4'-P energy: -47.630 tors. eta vs tors. theta energy: -35.137 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: 7 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -715.288984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.288984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.288984 (E_RNA) where: Base-Base interactions energy: -441.355 where: short stacking energy: -209.052 Base-Backbone interact. energy: -2.346 local terms energy: -271.587599 where: bonds (distance) C4'-P energy: -54.936 bonds (distance) P-C4' energy: -63.363 flat angles C4'-P-C4' energy: -68.310 flat angles P-C4'-P energy: -48.976 tors. eta vs tors. theta energy: -36.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -733.400460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.400460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.400460 (E_RNA) where: Base-Base interactions energy: -459.264 where: short stacking energy: -228.118 Base-Backbone interact. energy: -2.505 local terms energy: -271.631101 where: bonds (distance) C4'-P energy: -44.045 bonds (distance) P-C4' energy: -65.759 flat angles C4'-P-C4' energy: -65.714 flat angles P-C4'-P energy: -40.985 tors. eta vs tors. theta energy: -55.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -507.144256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.144256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.144256 (E_RNA) where: Base-Base interactions energy: -287.554 where: short stacking energy: -164.592 Base-Backbone interact. energy: -1.851 local terms energy: -217.739360 where: bonds (distance) C4'-P energy: -59.909 bonds (distance) P-C4' energy: -62.224 flat angles C4'-P-C4' energy: -56.352 flat angles P-C4'-P energy: -26.750 tors. eta vs tors. theta energy: -12.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -463.488515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.488515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.488515 (E_RNA) where: Base-Base interactions energy: -256.189 where: short stacking energy: -151.706 Base-Backbone interact. energy: -1.125 local terms energy: -206.174328 where: bonds (distance) C4'-P energy: -62.334 bonds (distance) P-C4' energy: -66.842 flat angles C4'-P-C4' energy: -50.845 flat angles P-C4'-P energy: -26.510 tors. eta vs tors. theta energy: 0.357 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: 9 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1309.039958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.039958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.039958 (E_RNA) where: Base-Base interactions energy: -910.935 where: short stacking energy: -382.491 Base-Backbone interact. energy: 1.842 local terms energy: -399.946805 where: bonds (distance) C4'-P energy: -72.544 bonds (distance) P-C4' energy: -76.719 flat angles C4'-P-C4' energy: -85.909 flat angles P-C4'-P energy: -56.311 tors. eta vs tors. theta energy: -108.463 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: 3 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1287.322190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.322190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.322190 (E_RNA) where: Base-Base interactions energy: -888.903 where: short stacking energy: -374.639 Base-Backbone interact. energy: -2.645 local terms energy: -395.774089 where: bonds (distance) C4'-P energy: -74.559 bonds (distance) P-C4' energy: -78.929 flat angles C4'-P-C4' energy: -90.883 flat angles P-C4'-P energy: -49.941 tors. eta vs tors. theta energy: -101.463 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: 8 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1188.466051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.466051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.466051 (E_RNA) where: Base-Base interactions energy: -798.925 where: short stacking energy: -356.394 Base-Backbone interact. energy: -1.794 local terms energy: -387.747796 where: bonds (distance) C4'-P energy: -84.945 bonds (distance) P-C4' energy: -82.310 flat angles C4'-P-C4' energy: -80.612 flat angles P-C4'-P energy: -51.187 tors. eta vs tors. theta energy: -88.694 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: 10 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1101.151647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.151647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.151647 (E_RNA) where: Base-Base interactions energy: -742.589 where: short stacking energy: -336.572 Base-Backbone interact. energy: 0.465 local terms energy: -359.027548 where: bonds (distance) C4'-P energy: -72.977 bonds (distance) P-C4' energy: -69.126 flat angles C4'-P-C4' energy: -75.352 flat angles P-C4'-P energy: -59.295 tors. eta vs tors. theta energy: -82.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1042.483014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.483014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.483014 (E_RNA) where: Base-Base interactions energy: -697.027 where: short stacking energy: -315.633 Base-Backbone interact. energy: 0.752 local terms energy: -346.208355 where: bonds (distance) C4'-P energy: -68.751 bonds (distance) P-C4' energy: -78.322 flat angles C4'-P-C4' energy: -72.455 flat angles P-C4'-P energy: -50.493 tors. eta vs tors. theta energy: -76.187 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: 5 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -806.222391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.222391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.222391 (E_RNA) where: Base-Base interactions energy: -531.933 where: short stacking energy: -239.659 Base-Backbone interact. energy: -0.898 local terms energy: -273.391199 where: bonds (distance) C4'-P energy: -68.322 bonds (distance) P-C4' energy: -62.119 flat angles C4'-P-C4' energy: -63.866 flat angles P-C4'-P energy: -38.289 tors. eta vs tors. theta energy: -40.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -760.750815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.750815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.750815 (E_RNA) where: Base-Base interactions energy: -486.441 where: short stacking energy: -208.521 Base-Backbone interact. energy: -2.200 local terms energy: -272.109765 where: bonds (distance) C4'-P energy: -68.714 bonds (distance) P-C4' energy: -64.351 flat angles C4'-P-C4' energy: -71.235 flat angles P-C4'-P energy: -33.497 tors. eta vs tors. theta energy: -34.313 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: 4 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -693.167115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.167115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.167115 (E_RNA) where: Base-Base interactions energy: -410.264 where: short stacking energy: -201.435 Base-Backbone interact. energy: -1.436 local terms energy: -281.467800 where: bonds (distance) C4'-P energy: -58.591 bonds (distance) P-C4' energy: -79.003 flat angles C4'-P-C4' energy: -61.288 flat angles P-C4'-P energy: -41.266 tors. eta vs tors. theta energy: -41.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -523.039386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.039386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.039386 (E_RNA) where: Base-Base interactions energy: -300.535 where: short stacking energy: -165.136 Base-Backbone interact. energy: 0.070 local terms energy: -222.574613 where: bonds (distance) C4'-P energy: -54.861 bonds (distance) P-C4' energy: -61.140 flat angles C4'-P-C4' energy: -54.182 flat angles P-C4'-P energy: -38.034 tors. eta vs tors. theta energy: -14.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -463.609893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.609893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.609893 (E_RNA) where: Base-Base interactions energy: -241.281 where: short stacking energy: -156.566 Base-Backbone interact. energy: 4.460 local terms energy: -226.789105 where: bonds (distance) C4'-P energy: -61.373 bonds (distance) P-C4' energy: -65.149 flat angles C4'-P-C4' energy: -54.205 flat angles P-C4'-P energy: -40.595 tors. eta vs tors. theta energy: -5.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1306.050571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.050571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.050571 (E_RNA) where: Base-Base interactions energy: -892.880 where: short stacking energy: -384.010 Base-Backbone interact. energy: -4.231 local terms energy: -408.939075 where: bonds (distance) C4'-P energy: -75.928 bonds (distance) P-C4' energy: -76.156 flat angles C4'-P-C4' energy: -92.755 flat angles P-C4'-P energy: -57.600 tors. eta vs tors. theta energy: -106.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1277.974719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.974719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.974719 (E_RNA) where: Base-Base interactions energy: -900.280 where: short stacking energy: -370.272 Base-Backbone interact. energy: -4.944 local terms energy: -372.751100 where: bonds (distance) C4'-P energy: -78.225 bonds (distance) P-C4' energy: -67.558 flat angles C4'-P-C4' energy: -81.711 flat angles P-C4'-P energy: -47.228 tors. eta vs tors. theta energy: -98.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1159.516295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.516295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.516295 (E_RNA) where: Base-Base interactions energy: -782.974 where: short stacking energy: -332.006 Base-Backbone interact. energy: -0.251 local terms energy: -376.291153 where: bonds (distance) C4'-P energy: -81.704 bonds (distance) P-C4' energy: -75.894 flat angles C4'-P-C4' energy: -76.914 flat angles P-C4'-P energy: -50.518 tors. eta vs tors. theta energy: -91.262 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: 4, replica: 8 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1155.050921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.050921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.050921 (E_RNA) where: Base-Base interactions energy: -780.027 where: short stacking energy: -359.237 Base-Backbone interact. energy: 0.379 local terms energy: -375.403548 where: bonds (distance) C4'-P energy: -66.371 bonds (distance) P-C4' energy: -69.705 flat angles C4'-P-C4' energy: -83.680 flat angles P-C4'-P energy: -68.697 tors. eta vs tors. theta energy: -86.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1103.754149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.754149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.754149 (E_RNA) where: Base-Base interactions energy: -735.014 where: short stacking energy: -325.347 Base-Backbone interact. energy: 0.133 local terms energy: -368.873072 where: bonds (distance) C4'-P energy: -73.164 bonds (distance) P-C4' energy: -71.907 flat angles C4'-P-C4' energy: -85.793 flat angles P-C4'-P energy: -48.299 tors. eta vs tors. theta energy: -89.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -806.207085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.207085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.207085 (E_RNA) where: Base-Base interactions energy: -498.493 where: short stacking energy: -212.438 Base-Backbone interact. energy: 0.887 local terms energy: -308.601482 where: bonds (distance) C4'-P energy: -74.070 bonds (distance) P-C4' energy: -73.376 flat angles C4'-P-C4' energy: -68.792 flat angles P-C4'-P energy: -43.652 tors. eta vs tors. theta energy: -48.712 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: 7 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -739.445735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.445735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.445735 (E_RNA) where: Base-Base interactions energy: -434.961 where: short stacking energy: -223.329 Base-Backbone interact. energy: -1.786 local terms energy: -302.698492 where: bonds (distance) C4'-P energy: -65.564 bonds (distance) P-C4' energy: -56.144 flat angles C4'-P-C4' energy: -78.515 flat angles P-C4'-P energy: -53.226 tors. eta vs tors. theta energy: -49.250 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: 4 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -615.093344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.093344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.093344 (E_RNA) where: Base-Base interactions energy: -358.764 where: short stacking energy: -176.245 Base-Backbone interact. energy: -0.651 local terms energy: -255.677649 where: bonds (distance) C4'-P energy: -65.886 bonds (distance) P-C4' energy: -52.090 flat angles C4'-P-C4' energy: -70.271 flat angles P-C4'-P energy: -35.887 tors. eta vs tors. theta energy: -31.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -554.361083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.361083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.361083 (E_RNA) where: Base-Base interactions energy: -335.340 where: short stacking energy: -174.233 Base-Backbone interact. energy: 4.628 local terms energy: -223.649293 where: bonds (distance) C4'-P energy: -57.327 bonds (distance) P-C4' energy: -57.908 flat angles C4'-P-C4' energy: -64.449 flat angles P-C4'-P energy: -35.787 tors. eta vs tors. theta energy: -8.178 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: 2 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -489.007330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.007330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.007330 (E_RNA) where: Base-Base interactions energy: -263.424 where: short stacking energy: -129.619 Base-Backbone interact. energy: 0.155 local terms energy: -225.738317 where: bonds (distance) C4'-P energy: -62.449 bonds (distance) P-C4' energy: -61.077 flat angles C4'-P-C4' energy: -64.810 flat angles P-C4'-P energy: -30.384 tors. eta vs tors. theta energy: -7.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1313.604829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.604829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.604829 (E_RNA) where: Base-Base interactions energy: -889.795 where: short stacking energy: -367.072 Base-Backbone interact. energy: -1.400 local terms energy: -422.409603 where: bonds (distance) C4'-P energy: -79.311 bonds (distance) P-C4' energy: -86.969 flat angles C4'-P-C4' energy: -94.331 flat angles P-C4'-P energy: -54.115 tors. eta vs tors. theta energy: -107.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1257.120116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.120116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.120116 (E_RNA) where: Base-Base interactions energy: -866.303 where: short stacking energy: -362.549 Base-Backbone interact. energy: -2.314 local terms energy: -388.503591 where: bonds (distance) C4'-P energy: -82.444 bonds (distance) P-C4' energy: -81.727 flat angles C4'-P-C4' energy: -79.842 flat angles P-C4'-P energy: -43.789 tors. eta vs tors. theta energy: -100.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1204.961645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.961645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.961645 (E_RNA) where: Base-Base interactions energy: -811.609 where: short stacking energy: -366.677 Base-Backbone interact. energy: -0.672 local terms energy: -392.680325 where: bonds (distance) C4'-P energy: -79.366 bonds (distance) P-C4' energy: -73.284 flat angles C4'-P-C4' energy: -88.674 flat angles P-C4'-P energy: -52.822 tors. eta vs tors. theta energy: -98.535 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: 4, replica: 1 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1122.414334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.414334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.414334 (E_RNA) where: Base-Base interactions energy: -754.028 where: short stacking energy: -352.383 Base-Backbone interact. energy: -1.648 local terms energy: -366.738106 where: bonds (distance) C4'-P energy: -58.028 bonds (distance) P-C4' energy: -75.971 flat angles C4'-P-C4' energy: -84.015 flat angles P-C4'-P energy: -60.077 tors. eta vs tors. theta energy: -88.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1078.219260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.219260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.219260 (E_RNA) where: Base-Base interactions energy: -713.946 where: short stacking energy: -320.490 Base-Backbone interact. energy: -0.898 local terms energy: -363.375319 where: bonds (distance) C4'-P energy: -60.970 bonds (distance) P-C4' energy: -70.224 flat angles C4'-P-C4' energy: -80.852 flat angles P-C4'-P energy: -63.018 tors. eta vs tors. theta energy: -88.311 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: 5 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -823.098227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.098227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.098227 (E_RNA) where: Base-Base interactions energy: -495.994 where: short stacking energy: -261.212 Base-Backbone interact. energy: -1.648 local terms energy: -325.456369 where: bonds (distance) C4'-P energy: -77.518 bonds (distance) P-C4' energy: -63.655 flat angles C4'-P-C4' energy: -71.365 flat angles P-C4'-P energy: -48.385 tors. eta vs tors. theta energy: -64.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -750.710373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.710373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.710373 (E_RNA) where: Base-Base interactions energy: -489.394 where: short stacking energy: -209.617 Base-Backbone interact. energy: -0.176 local terms energy: -261.140271 where: bonds (distance) C4'-P energy: -56.402 bonds (distance) P-C4' energy: -81.432 flat angles C4'-P-C4' energy: -50.250 flat angles P-C4'-P energy: -38.518 tors. eta vs tors. theta energy: -34.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -630.449861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.449861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.449861 (E_RNA) where: Base-Base interactions energy: -356.649 where: short stacking energy: -176.925 Base-Backbone interact. energy: 0.134 local terms energy: -273.935053 where: bonds (distance) C4'-P energy: -61.395 bonds (distance) P-C4' energy: -64.036 flat angles C4'-P-C4' energy: -73.159 flat angles P-C4'-P energy: -51.856 tors. eta vs tors. theta energy: -23.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -547.278580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.278580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.278580 (E_RNA) where: Base-Base interactions energy: -316.356 where: short stacking energy: -180.665 Base-Backbone interact. energy: -1.609 local terms energy: -229.313403 where: bonds (distance) C4'-P energy: -66.636 bonds (distance) P-C4' energy: -63.281 flat angles C4'-P-C4' energy: -58.343 flat angles P-C4'-P energy: -16.320 tors. eta vs tors. theta energy: -24.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -461.404692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.404692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.404692 (E_RNA) where: Base-Base interactions energy: -221.177 where: short stacking energy: -123.164 Base-Backbone interact. energy: -0.171 local terms energy: -240.056340 where: bonds (distance) C4'-P energy: -64.326 bonds (distance) P-C4' energy: -65.035 flat angles C4'-P-C4' energy: -61.986 flat angles P-C4'-P energy: -43.699 tors. eta vs tors. theta energy: -5.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1276.016793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.016793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.016793 (E_RNA) where: Base-Base interactions energy: -873.529 where: short stacking energy: -372.980 Base-Backbone interact. energy: -2.458 local terms energy: -400.029443 where: bonds (distance) C4'-P energy: -77.190 bonds (distance) P-C4' energy: -74.945 flat angles C4'-P-C4' energy: -82.186 flat angles P-C4'-P energy: -62.210 tors. eta vs tors. theta energy: -103.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1202.333560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.333560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.333560 (E_RNA) where: Base-Base interactions energy: -830.440 where: short stacking energy: -337.700 Base-Backbone interact. energy: 1.247 local terms energy: -373.141035 where: bonds (distance) C4'-P energy: -70.338 bonds (distance) P-C4' energy: -77.926 flat angles C4'-P-C4' energy: -75.489 flat angles P-C4'-P energy: -66.595 tors. eta vs tors. theta energy: -82.793 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: 3, replica: 10 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1226.916842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.916842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.916842 (E_RNA) where: Base-Base interactions energy: -850.736 where: short stacking energy: -355.364 Base-Backbone interact. energy: -0.703 local terms energy: -375.478289 where: bonds (distance) C4'-P energy: -79.941 bonds (distance) P-C4' energy: -67.520 flat angles C4'-P-C4' energy: -88.224 flat angles P-C4'-P energy: -51.304 tors. eta vs tors. theta energy: -88.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1137.597104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.597104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.597104 (E_RNA) where: Base-Base interactions energy: -758.038 where: short stacking energy: -369.772 Base-Backbone interact. energy: -1.628 local terms energy: -377.930656 where: bonds (distance) C4'-P energy: -67.462 bonds (distance) P-C4' energy: -63.046 flat angles C4'-P-C4' energy: -87.345 flat angles P-C4'-P energy: -50.149 tors. eta vs tors. theta energy: -109.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1091.068363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.068363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.068363 (E_RNA) where: Base-Base interactions energy: -744.792 where: short stacking energy: -321.276 Base-Backbone interact. energy: 1.298 local terms energy: -347.574026 where: bonds (distance) C4'-P energy: -70.994 bonds (distance) P-C4' energy: -72.435 flat angles C4'-P-C4' energy: -64.841 flat angles P-C4'-P energy: -49.173 tors. eta vs tors. theta energy: -90.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -852.036986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.036986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.036986 (E_RNA) where: Base-Base interactions energy: -526.720 where: short stacking energy: -267.122 Base-Backbone interact. energy: 1.010 local terms energy: -326.327303 where: bonds (distance) C4'-P energy: -64.368 bonds (distance) P-C4' energy: -82.499 flat angles C4'-P-C4' energy: -86.430 flat angles P-C4'-P energy: -27.596 tors. eta vs tors. theta energy: -65.435 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: 7 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -792.165809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.165809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.165809 (E_RNA) where: Base-Base interactions energy: -480.108 where: short stacking energy: -226.557 Base-Backbone interact. energy: 0.250 local terms energy: -312.308031 where: bonds (distance) C4'-P energy: -66.467 bonds (distance) P-C4' energy: -78.739 flat angles C4'-P-C4' energy: -70.213 flat angles P-C4'-P energy: -54.228 tors. eta vs tors. theta energy: -42.661 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: 4 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -638.104774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.104774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.104774 (E_RNA) where: Base-Base interactions energy: -378.549 where: short stacking energy: -179.128 Base-Backbone interact. energy: 2.306 local terms energy: -261.861072 where: bonds (distance) C4'-P energy: -71.210 bonds (distance) P-C4' energy: -63.557 flat angles C4'-P-C4' energy: -68.237 flat angles P-C4'-P energy: -36.184 tors. eta vs tors. theta energy: -22.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -559.448274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.448274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.448274 (E_RNA) where: Base-Base interactions energy: -309.393 where: short stacking energy: -158.734 Base-Backbone interact. energy: -0.307 local terms energy: -249.748640 where: bonds (distance) C4'-P energy: -77.776 bonds (distance) P-C4' energy: -56.647 flat angles C4'-P-C4' energy: -63.425 flat angles P-C4'-P energy: -38.358 tors. eta vs tors. theta energy: -13.541 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: 10, replica: 2 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -471.507387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.507387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.507387 (E_RNA) where: Base-Base interactions energy: -240.621 where: short stacking energy: -135.285 Base-Backbone interact. energy: -1.479 local terms energy: -229.406956 where: bonds (distance) C4'-P energy: -72.760 bonds (distance) P-C4' energy: -66.571 flat angles C4'-P-C4' energy: -57.613 flat angles P-C4'-P energy: -12.736 tors. eta vs tors. theta energy: -19.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1304.436363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.436363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.436363 (E_RNA) where: Base-Base interactions energy: -889.761 where: short stacking energy: -387.127 Base-Backbone interact. energy: -1.914 local terms energy: -412.760940 where: bonds (distance) C4'-P energy: -79.891 bonds (distance) P-C4' energy: -87.873 flat angles C4'-P-C4' energy: -91.523 flat angles P-C4'-P energy: -45.255 tors. eta vs tors. theta energy: -108.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1244.148656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.148656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.148656 (E_RNA) where: Base-Base interactions energy: -866.634 where: short stacking energy: -379.814 Base-Backbone interact. energy: -0.990 local terms energy: -376.524786 where: bonds (distance) C4'-P energy: -68.285 bonds (distance) P-C4' energy: -79.657 flat angles C4'-P-C4' energy: -75.724 flat angles P-C4'-P energy: -43.217 tors. eta vs tors. theta energy: -109.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1249.309342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.309342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.309342 (E_RNA) where: Base-Base interactions energy: -868.290 where: short stacking energy: -370.099 Base-Backbone interact. energy: -0.657 local terms energy: -380.362780 where: bonds (distance) C4'-P energy: -74.798 bonds (distance) P-C4' energy: -74.169 flat angles C4'-P-C4' energy: -79.565 flat angles P-C4'-P energy: -46.476 tors. eta vs tors. theta energy: -105.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1113.900289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.900289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.900289 (E_RNA) where: Base-Base interactions energy: -769.546 where: short stacking energy: -339.272 Base-Backbone interact. energy: -1.892 local terms energy: -342.462337 where: bonds (distance) C4'-P energy: -73.898 bonds (distance) P-C4' energy: -62.247 flat angles C4'-P-C4' energy: -72.060 flat angles P-C4'-P energy: -38.679 tors. eta vs tors. theta energy: -95.579 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: 5, replica: 1 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1026.631327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.631327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.631327 (E_RNA) where: Base-Base interactions energy: -678.740 where: short stacking energy: -301.345 Base-Backbone interact. energy: -0.246 local terms energy: -347.644490 where: bonds (distance) C4'-P energy: -63.716 bonds (distance) P-C4' energy: -74.985 flat angles C4'-P-C4' energy: -77.261 flat angles P-C4'-P energy: -44.442 tors. eta vs tors. theta energy: -87.240 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: 5 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -865.620855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.620855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.620855 (E_RNA) where: Base-Base interactions energy: -551.605 where: short stacking energy: -250.914 Base-Backbone interact. energy: 0.431 local terms energy: -314.446220 where: bonds (distance) C4'-P energy: -70.747 bonds (distance) P-C4' energy: -78.186 flat angles C4'-P-C4' energy: -61.074 flat angles P-C4'-P energy: -41.927 tors. eta vs tors. theta energy: -62.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -832.759860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.759860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.759860 (E_RNA) where: Base-Base interactions energy: -527.812 where: short stacking energy: -258.239 Base-Backbone interact. energy: 1.412 local terms energy: -306.359456 where: bonds (distance) C4'-P energy: -63.523 bonds (distance) P-C4' energy: -68.388 flat angles C4'-P-C4' energy: -65.418 flat angles P-C4'-P energy: -52.988 tors. eta vs tors. theta energy: -56.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -575.327060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.327060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.327060 (E_RNA) where: Base-Base interactions energy: -327.179 where: short stacking energy: -177.387 Base-Backbone interact. energy: -1.311 local terms energy: -246.836855 where: bonds (distance) C4'-P energy: -60.645 bonds (distance) P-C4' energy: -73.148 flat angles C4'-P-C4' energy: -60.805 flat angles P-C4'-P energy: -34.933 tors. eta vs tors. theta energy: -17.307 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: 4 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -546.849793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.849793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.849793 (E_RNA) where: Base-Base interactions energy: -303.227 where: short stacking energy: -159.256 Base-Backbone interact. energy: 1.537 local terms energy: -245.160014 where: bonds (distance) C4'-P energy: -73.670 bonds (distance) P-C4' energy: -65.640 flat angles C4'-P-C4' energy: -63.469 flat angles P-C4'-P energy: -38.909 tors. eta vs tors. theta energy: -3.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -488.952849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.952849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.952849 (E_RNA) where: Base-Base interactions energy: -280.249 where: short stacking energy: -140.646 Base-Backbone interact. energy: 1.333 local terms energy: -210.036813 where: bonds (distance) C4'-P energy: -60.464 bonds (distance) P-C4' energy: -60.140 flat angles C4'-P-C4' energy: -60.719 flat angles P-C4'-P energy: -34.010 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: 9 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1275.229746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.229746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.229746 (E_RNA) where: Base-Base interactions energy: -878.849 where: short stacking energy: -385.551 Base-Backbone interact. energy: -0.079 local terms energy: -396.301793 where: bonds (distance) C4'-P energy: -77.356 bonds (distance) P-C4' energy: -73.007 flat angles C4'-P-C4' energy: -85.571 flat angles P-C4'-P energy: -56.331 tors. eta vs tors. theta energy: -104.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1279.157400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.157400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.157400 (E_RNA) where: Base-Base interactions energy: -874.324 where: short stacking energy: -375.998 Base-Backbone interact. energy: -2.229 local terms energy: -402.603826 where: bonds (distance) C4'-P energy: -71.335 bonds (distance) P-C4' energy: -66.813 flat angles C4'-P-C4' energy: -94.878 flat angles P-C4'-P energy: -61.852 tors. eta vs tors. theta energy: -107.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1229.504698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.504698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.504698 (E_RNA) where: Base-Base interactions energy: -833.984 where: short stacking energy: -372.859 Base-Backbone interact. energy: -1.825 local terms energy: -393.695986 where: bonds (distance) C4'-P energy: -61.950 bonds (distance) P-C4' energy: -76.755 flat angles C4'-P-C4' energy: -88.152 flat angles P-C4'-P energy: -55.217 tors. eta vs tors. theta energy: -111.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1168.733091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.733091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.733091 (E_RNA) where: Base-Base interactions energy: -800.950 where: short stacking energy: -340.350 Base-Backbone interact. energy: -1.793 local terms energy: -365.989413 where: bonds (distance) C4'-P energy: -72.236 bonds (distance) P-C4' energy: -75.558 flat angles C4'-P-C4' energy: -76.111 flat angles P-C4'-P energy: -52.697 tors. eta vs tors. theta energy: -89.387 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: 1 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1026.578234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.578234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.578234 (E_RNA) where: Base-Base interactions energy: -675.538 where: short stacking energy: -321.248 Base-Backbone interact. energy: -0.777 local terms energy: -350.262566 where: bonds (distance) C4'-P energy: -75.502 bonds (distance) P-C4' energy: -77.689 flat angles C4'-P-C4' energy: -73.354 flat angles P-C4'-P energy: -49.043 tors. eta vs tors. theta energy: -74.675 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: 5 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -824.894126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.894126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.894126 (E_RNA) where: Base-Base interactions energy: -549.643 where: short stacking energy: -242.095 Base-Backbone interact. energy: -2.243 local terms energy: -273.007539 where: bonds (distance) C4'-P energy: -56.275 bonds (distance) P-C4' energy: -71.051 flat angles C4'-P-C4' energy: -69.242 flat angles P-C4'-P energy: -33.290 tors. eta vs tors. theta energy: -43.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -859.765820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.765820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.765820 (E_RNA) where: Base-Base interactions energy: -535.770 where: short stacking energy: -243.418 Base-Backbone interact. energy: -1.818 local terms energy: -322.177744 where: bonds (distance) C4'-P energy: -59.694 bonds (distance) P-C4' energy: -74.607 flat angles C4'-P-C4' energy: -75.937 flat angles P-C4'-P energy: -45.538 tors. eta vs tors. theta energy: -66.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -570.755043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.755043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.755043 (E_RNA) where: Base-Base interactions energy: -322.981 where: short stacking energy: -175.970 Base-Backbone interact. energy: -0.320 local terms energy: -247.453742 where: bonds (distance) C4'-P energy: -72.628 bonds (distance) P-C4' energy: -69.970 flat angles C4'-P-C4' energy: -59.068 flat angles P-C4'-P energy: -22.711 tors. eta vs tors. theta energy: -23.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -502.104424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.104424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.104424 (E_RNA) where: Base-Base interactions energy: -251.145 where: short stacking energy: -140.243 Base-Backbone interact. energy: -2.158 local terms energy: -248.801659 where: bonds (distance) C4'-P energy: -62.365 bonds (distance) P-C4' energy: -63.146 flat angles C4'-P-C4' energy: -61.761 flat angles P-C4'-P energy: -42.684 tors. eta vs tors. theta energy: -18.846 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: 4 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -506.085226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.085226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.085226 (E_RNA) where: Base-Base interactions energy: -264.033 where: short stacking energy: -150.221 Base-Backbone interact. energy: -1.544 local terms energy: -240.508786 where: bonds (distance) C4'-P energy: -73.631 bonds (distance) P-C4' energy: -62.622 flat angles C4'-P-C4' energy: -63.484 flat angles P-C4'-P energy: -27.662 tors. eta vs tors. theta energy: -13.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1285.970684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.970684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.970684 (E_RNA) where: Base-Base interactions energy: -867.387 where: short stacking energy: -373.349 Base-Backbone interact. energy: -3.551 local terms energy: -415.031758 where: bonds (distance) C4'-P energy: -77.376 bonds (distance) P-C4' energy: -74.208 flat angles C4'-P-C4' energy: -92.380 flat angles P-C4'-P energy: -60.488 tors. eta vs tors. theta energy: -110.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1241.847415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.847415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.847415 (E_RNA) where: Base-Base interactions energy: -864.095 where: short stacking energy: -363.809 Base-Backbone interact. energy: -2.022 local terms energy: -375.730686 where: bonds (distance) C4'-P energy: -62.582 bonds (distance) P-C4' energy: -76.284 flat angles C4'-P-C4' energy: -79.224 flat angles P-C4'-P energy: -61.840 tors. eta vs tors. theta energy: -95.800 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: 10 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1235.679436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.679436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.679436 (E_RNA) where: Base-Base interactions energy: -828.009 where: short stacking energy: -367.886 Base-Backbone interact. energy: -1.598 local terms energy: -406.072174 where: bonds (distance) C4'-P energy: -78.868 bonds (distance) P-C4' energy: -82.753 flat angles C4'-P-C4' energy: -86.435 flat angles P-C4'-P energy: -56.958 tors. eta vs tors. theta energy: -101.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1179.334093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.334093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.334093 (E_RNA) where: Base-Base interactions energy: -790.287 where: short stacking energy: -350.804 Base-Backbone interact. energy: -1.447 local terms energy: -387.599627 where: bonds (distance) C4'-P energy: -70.099 bonds (distance) P-C4' energy: -68.548 flat angles C4'-P-C4' energy: -84.212 flat angles P-C4'-P energy: -58.329 tors. eta vs tors. theta energy: -106.411 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: 1 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1037.013071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.013071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.013071 (E_RNA) where: Base-Base interactions energy: -681.584 where: short stacking energy: -307.734 Base-Backbone interact. energy: 0.929 local terms energy: -356.357891 where: bonds (distance) C4'-P energy: -69.378 bonds (distance) P-C4' energy: -69.728 flat angles C4'-P-C4' energy: -82.128 flat angles P-C4'-P energy: -56.836 tors. eta vs tors. theta energy: -78.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -928.099730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.099730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.099730 (E_RNA) where: Base-Base interactions energy: -610.882 where: short stacking energy: -290.716 Base-Backbone interact. energy: -1.728 local terms energy: -315.489997 where: bonds (distance) C4'-P energy: -60.785 bonds (distance) P-C4' energy: -62.295 flat angles C4'-P-C4' energy: -79.246 flat angles P-C4'-P energy: -46.602 tors. eta vs tors. theta energy: -66.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -787.244590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.244590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.244590 (E_RNA) where: Base-Base interactions energy: -491.206 where: short stacking energy: -252.574 Base-Backbone interact. energy: 5.370 local terms energy: -301.408716 where: bonds (distance) C4'-P energy: -66.927 bonds (distance) P-C4' energy: -62.199 flat angles C4'-P-C4' energy: -72.901 flat angles P-C4'-P energy: -46.249 tors. eta vs tors. theta energy: -53.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -560.482716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.482716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.482716 (E_RNA) where: Base-Base interactions energy: -308.111 where: short stacking energy: -183.844 Base-Backbone interact. energy: -1.520 local terms energy: -250.852121 where: bonds (distance) C4'-P energy: -55.028 bonds (distance) P-C4' energy: -70.949 flat angles C4'-P-C4' energy: -61.964 flat angles P-C4'-P energy: -42.143 tors. eta vs tors. theta energy: -20.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -521.806787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.806787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.806787 (E_RNA) where: Base-Base interactions energy: -284.637 where: short stacking energy: -146.097 Base-Backbone interact. energy: 1.785 local terms energy: -238.955363 where: bonds (distance) C4'-P energy: -74.166 bonds (distance) P-C4' energy: -63.736 flat angles C4'-P-C4' energy: -68.585 flat angles P-C4'-P energy: -20.543 tors. eta vs tors. theta energy: -11.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -494.632456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.632456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.632456 (E_RNA) where: Base-Base interactions energy: -248.890 where: short stacking energy: -139.415 Base-Backbone interact. energy: -1.051 local terms energy: -244.691385 where: bonds (distance) C4'-P energy: -54.122 bonds (distance) P-C4' energy: -71.397 flat angles C4'-P-C4' energy: -45.664 flat angles P-C4'-P energy: -43.242 tors. eta vs tors. theta energy: -30.266 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: 9 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1270.626425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.626425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.626425 (E_RNA) where: Base-Base interactions energy: -871.501 where: short stacking energy: -392.919 Base-Backbone interact. energy: -2.389 local terms energy: -396.736362 where: bonds (distance) C4'-P energy: -61.785 bonds (distance) P-C4' energy: -79.065 flat angles C4'-P-C4' energy: -92.307 flat angles P-C4'-P energy: -56.610 tors. eta vs tors. theta energy: -106.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1233.961202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.961202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.961202 (E_RNA) where: Base-Base interactions energy: -842.606 where: short stacking energy: -366.784 Base-Backbone interact. energy: -2.548 local terms energy: -388.807298 where: bonds (distance) C4'-P energy: -68.109 bonds (distance) P-C4' energy: -68.771 flat angles C4'-P-C4' energy: -87.871 flat angles P-C4'-P energy: -67.857 tors. eta vs tors. theta energy: -96.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1255.622968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.622968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.622968 (E_RNA) where: Base-Base interactions energy: -845.274 where: short stacking energy: -380.061 Base-Backbone interact. energy: -1.590 local terms energy: -408.759125 where: bonds (distance) C4'-P energy: -85.033 bonds (distance) P-C4' energy: -78.328 flat angles C4'-P-C4' energy: -86.547 flat angles P-C4'-P energy: -61.166 tors. eta vs tors. theta energy: -97.685 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: 8 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1177.602567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.602567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.602567 (E_RNA) where: Base-Base interactions energy: -812.543 where: short stacking energy: -346.701 Base-Backbone interact. energy: -0.390 local terms energy: -364.669433 where: bonds (distance) C4'-P energy: -65.318 bonds (distance) P-C4' energy: -72.596 flat angles C4'-P-C4' energy: -79.412 flat angles P-C4'-P energy: -53.927 tors. eta vs tors. theta energy: -93.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1045.629069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.629069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.629069 (E_RNA) where: Base-Base interactions energy: -675.238 where: short stacking energy: -318.213 Base-Backbone interact. energy: 2.460 local terms energy: -372.851028 where: bonds (distance) C4'-P energy: -69.220 bonds (distance) P-C4' energy: -83.432 flat angles C4'-P-C4' energy: -75.353 flat angles P-C4'-P energy: -68.487 tors. eta vs tors. theta energy: -76.359 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: 58 Temperature: 1.150000 Total energy: -945.274136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.274136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.274136 (E_RNA) where: Base-Base interactions energy: -609.182 where: short stacking energy: -295.902 Base-Backbone interact. energy: -0.300 local terms energy: -335.792663 where: bonds (distance) C4'-P energy: -74.654 bonds (distance) P-C4' energy: -73.941 flat angles C4'-P-C4' energy: -72.665 flat angles P-C4'-P energy: -44.835 tors. eta vs tors. theta energy: -69.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -765.167143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.167143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.167143 (E_RNA) where: Base-Base interactions energy: -462.078 where: short stacking energy: -231.384 Base-Backbone interact. energy: -0.552 local terms energy: -302.537126 where: bonds (distance) C4'-P energy: -65.255 bonds (distance) P-C4' energy: -75.364 flat angles C4'-P-C4' energy: -78.078 flat angles P-C4'-P energy: -39.334 tors. eta vs tors. theta energy: -44.506 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: 6 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -562.616263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.616263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.616263 (E_RNA) where: Base-Base interactions energy: -286.941 where: short stacking energy: -160.310 Base-Backbone interact. energy: 0.503 local terms energy: -276.178629 where: bonds (distance) C4'-P energy: -69.870 bonds (distance) P-C4' energy: -77.845 flat angles C4'-P-C4' energy: -72.552 flat angles P-C4'-P energy: -49.830 tors. eta vs tors. theta energy: -6.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -524.721372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.721372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.721372 (E_RNA) where: Base-Base interactions energy: -281.618 where: short stacking energy: -149.373 Base-Backbone interact. energy: -1.369 local terms energy: -241.733802 where: bonds (distance) C4'-P energy: -69.853 bonds (distance) P-C4' energy: -73.762 flat angles C4'-P-C4' energy: -51.094 flat angles P-C4'-P energy: -50.755 tors. eta vs tors. theta energy: 3.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -494.098068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.098068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.098068 (E_RNA) where: Base-Base interactions energy: -287.956 where: short stacking energy: -153.887 Base-Backbone interact. energy: 2.132 local terms energy: -208.273774 where: bonds (distance) C4'-P energy: -43.521 bonds (distance) P-C4' energy: -69.442 flat angles C4'-P-C4' energy: -51.089 flat angles P-C4'-P energy: -36.669 tors. eta vs tors. theta energy: -7.553 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: 9 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1298.035889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.035889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.035889 (E_RNA) where: Base-Base interactions energy: -902.410 where: short stacking energy: -384.309 Base-Backbone interact. energy: 1.850 local terms energy: -397.475307 where: bonds (distance) C4'-P energy: -81.222 bonds (distance) P-C4' energy: -81.870 flat angles C4'-P-C4' energy: -82.064 flat angles P-C4'-P energy: -46.350 tors. eta vs tors. theta energy: -105.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1259.426413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.426413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.426413 (E_RNA) where: Base-Base interactions energy: -858.298 where: short stacking energy: -374.940 Base-Backbone interact. energy: -0.543 local terms energy: -400.585233 where: bonds (distance) C4'-P energy: -75.092 bonds (distance) P-C4' energy: -86.810 flat angles C4'-P-C4' energy: -75.986 flat angles P-C4'-P energy: -58.354 tors. eta vs tors. theta energy: -104.343 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: 3 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1213.086914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.086914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.086914 (E_RNA) where: Base-Base interactions energy: -833.590 where: short stacking energy: -338.633 Base-Backbone interact. energy: -0.921 local terms energy: -378.576343 where: bonds (distance) C4'-P energy: -81.805 bonds (distance) P-C4' energy: -69.044 flat angles C4'-P-C4' energy: -77.826 flat angles P-C4'-P energy: -58.659 tors. eta vs tors. theta energy: -91.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1156.889281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.889281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.889281 (E_RNA) where: Base-Base interactions energy: -793.676 where: short stacking energy: -329.461 Base-Backbone interact. energy: -1.875 local terms energy: -361.338953 where: bonds (distance) C4'-P energy: -74.778 bonds (distance) P-C4' energy: -66.408 flat angles C4'-P-C4' energy: -87.501 flat angles P-C4'-P energy: -46.043 tors. eta vs tors. theta energy: -86.609 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: 5, replica: 1 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1036.798106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.798106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.798106 (E_RNA) where: Base-Base interactions energy: -683.905 where: short stacking energy: -314.371 Base-Backbone interact. energy: 2.782 local terms energy: -355.675143 where: bonds (distance) C4'-P energy: -71.389 bonds (distance) P-C4' energy: -66.514 flat angles C4'-P-C4' energy: -75.778 flat angles P-C4'-P energy: -47.228 tors. eta vs tors. theta energy: -94.765 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: 7 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -872.083779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.083779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.083779 (E_RNA) where: Base-Base interactions energy: -551.984 where: short stacking energy: -257.682 Base-Backbone interact. energy: -1.036 local terms energy: -319.063874 where: bonds (distance) C4'-P energy: -70.722 bonds (distance) P-C4' energy: -74.552 flat angles C4'-P-C4' energy: -74.792 flat angles P-C4'-P energy: -49.461 tors. eta vs tors. theta energy: -49.537 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: 5 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -807.635163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.635163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.635163 (E_RNA) where: Base-Base interactions energy: -493.839 where: short stacking energy: -240.994 Base-Backbone interact. energy: 2.043 local terms energy: -315.839179 where: bonds (distance) C4'-P energy: -60.144 bonds (distance) P-C4' energy: -79.128 flat angles C4'-P-C4' energy: -74.766 flat angles P-C4'-P energy: -42.344 tors. eta vs tors. theta energy: -59.458 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: 59 Temperature: 1.250000 Total energy: -572.401341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.401341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.401341 (E_RNA) where: Base-Base interactions energy: -333.740 where: short stacking energy: -161.787 Base-Backbone interact. energy: 1.594 local terms energy: -240.255928 where: bonds (distance) C4'-P energy: -73.048 bonds (distance) P-C4' energy: -70.469 flat angles C4'-P-C4' energy: -65.476 flat angles P-C4'-P energy: -23.763 tors. eta vs tors. theta energy: -7.501 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: 2 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -481.979643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.979643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.979643 (E_RNA) where: Base-Base interactions energy: -243.272 where: short stacking energy: -133.021 Base-Backbone interact. energy: 3.862 local terms energy: -242.569471 where: bonds (distance) C4'-P energy: -58.809 bonds (distance) P-C4' energy: -78.496 flat angles C4'-P-C4' energy: -60.075 flat angles P-C4'-P energy: -36.205 tors. eta vs tors. theta energy: -8.985 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: 10, replica: 4 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -492.480583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.480583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.480583 (E_RNA) where: Base-Base interactions energy: -267.683 where: short stacking energy: -173.268 Base-Backbone interact. energy: 5.584 local terms energy: -230.381360 where: bonds (distance) C4'-P energy: -62.083 bonds (distance) P-C4' energy: -65.460 flat angles C4'-P-C4' energy: -51.377 flat angles P-C4'-P energy: -29.815 tors. eta vs tors. theta energy: -21.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1311.597317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.597317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.597317 (E_RNA) where: Base-Base interactions energy: -879.654 where: short stacking energy: -376.242 Base-Backbone interact. energy: -2.953 local terms energy: -428.989652 where: bonds (distance) C4'-P energy: -83.064 bonds (distance) P-C4' energy: -85.260 flat angles C4'-P-C4' energy: -88.912 flat angles P-C4'-P energy: -66.674 tors. eta vs tors. theta energy: -105.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1285.176873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.176873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.176873 (E_RNA) where: Base-Base interactions energy: -894.765 where: short stacking energy: -380.090 Base-Backbone interact. energy: 0.817 local terms energy: -391.229305 where: bonds (distance) C4'-P energy: -69.199 bonds (distance) P-C4' energy: -74.170 flat angles C4'-P-C4' energy: -89.258 flat angles P-C4'-P energy: -56.523 tors. eta vs tors. theta energy: -102.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1229.592592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.592592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.592592 (E_RNA) where: Base-Base interactions energy: -837.606 where: short stacking energy: -376.458 Base-Backbone interact. energy: -3.973 local terms energy: -388.013122 where: bonds (distance) C4'-P energy: -65.450 bonds (distance) P-C4' energy: -81.223 flat angles C4'-P-C4' energy: -81.711 flat angles P-C4'-P energy: -66.295 tors. eta vs tors. theta energy: -93.334 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: 3 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1162.213406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.213406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.213406 (E_RNA) where: Base-Base interactions energy: -791.681 where: short stacking energy: -342.393 Base-Backbone interact. energy: -2.531 local terms energy: -368.000965 where: bonds (distance) C4'-P energy: -68.050 bonds (distance) P-C4' energy: -72.169 flat angles C4'-P-C4' energy: -82.756 flat angles P-C4'-P energy: -47.570 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: 5, replica: 1 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1028.023300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.023300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.023300 (E_RNA) where: Base-Base interactions energy: -679.196 where: short stacking energy: -323.353 Base-Backbone interact. energy: -0.538 local terms energy: -348.288941 where: bonds (distance) C4'-P energy: -64.644 bonds (distance) P-C4' energy: -76.041 flat angles C4'-P-C4' energy: -74.976 flat angles P-C4'-P energy: -48.196 tors. eta vs tors. theta energy: -84.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -934.254887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.254887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.254887 (E_RNA) where: Base-Base interactions energy: -608.562 where: short stacking energy: -294.340 Base-Backbone interact. energy: -1.983 local terms energy: -323.710025 where: bonds (distance) C4'-P energy: -66.977 bonds (distance) P-C4' energy: -74.700 flat angles C4'-P-C4' energy: -71.524 flat angles P-C4'-P energy: -45.782 tors. eta vs tors. theta energy: -64.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -828.564213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.564213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.564213 (E_RNA) where: Base-Base interactions energy: -505.221 where: short stacking energy: -232.988 Base-Backbone interact. energy: -3.818 local terms energy: -319.525668 where: bonds (distance) C4'-P energy: -69.243 bonds (distance) P-C4' energy: -73.455 flat angles C4'-P-C4' energy: -82.741 flat angles P-C4'-P energy: -48.762 tors. eta vs tors. theta energy: -45.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -634.545303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.545303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.545303 (E_RNA) where: Base-Base interactions energy: -388.929 where: short stacking energy: -193.785 Base-Backbone interact. energy: 0.012 local terms energy: -245.627579 where: bonds (distance) C4'-P energy: -63.256 bonds (distance) P-C4' energy: -71.436 flat angles C4'-P-C4' energy: -58.840 flat angles P-C4'-P energy: -33.789 tors. eta vs tors. theta energy: -18.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -480.205019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.205019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.205019 (E_RNA) where: Base-Base interactions energy: -220.881 where: short stacking energy: -128.797 Base-Backbone interact. energy: -1.112 local terms energy: -258.212392 where: bonds (distance) C4'-P energy: -72.400 bonds (distance) P-C4' energy: -65.372 flat angles C4'-P-C4' energy: -74.108 flat angles P-C4'-P energy: -42.710 tors. eta vs tors. theta energy: -3.622 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: 4 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -437.484909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.484909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.484909 (E_RNA) where: Base-Base interactions energy: -234.925 where: short stacking energy: -125.149 Base-Backbone interact. energy: 3.127 local terms energy: -205.686671 where: bonds (distance) C4'-P energy: -50.916 bonds (distance) P-C4' energy: -57.141 flat angles C4'-P-C4' energy: -66.188 flat angles P-C4'-P energy: -24.640 tors. eta vs tors. theta energy: -6.802 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: 1, replica: 10 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1312.536396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.536396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.536396 (E_RNA) where: Base-Base interactions energy: -885.025 where: short stacking energy: -371.067 Base-Backbone interact. energy: -0.632 local terms energy: -426.879209 where: bonds (distance) C4'-P energy: -74.540 bonds (distance) P-C4' energy: -82.406 flat angles C4'-P-C4' energy: -93.548 flat angles P-C4'-P energy: -67.727 tors. eta vs tors. theta energy: -108.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1257.819745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.819745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.819745 (E_RNA) where: Base-Base interactions energy: -880.095 where: short stacking energy: -370.651 Base-Backbone interact. energy: 2.683 local terms energy: -380.407734 where: bonds (distance) C4'-P energy: -74.163 bonds (distance) P-C4' energy: -67.938 flat angles C4'-P-C4' energy: -81.384 flat angles P-C4'-P energy: -49.013 tors. eta vs tors. theta energy: -107.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1233.423257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.423257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.423257 (E_RNA) where: Base-Base interactions energy: -854.662 where: short stacking energy: -360.631 Base-Backbone interact. energy: -0.695 local terms energy: -378.066022 where: bonds (distance) C4'-P energy: -71.075 bonds (distance) P-C4' energy: -73.111 flat angles C4'-P-C4' energy: -89.140 flat angles P-C4'-P energy: -50.752 tors. eta vs tors. theta energy: -93.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1174.178798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.178798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.178798 (E_RNA) where: Base-Base interactions energy: -797.287 where: short stacking energy: -326.350 Base-Backbone interact. energy: -2.066 local terms energy: -374.825456 where: bonds (distance) C4'-P energy: -79.839 bonds (distance) P-C4' energy: -73.217 flat angles C4'-P-C4' energy: -77.792 flat angles P-C4'-P energy: -58.201 tors. eta vs tors. theta energy: -85.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1042.084430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.084430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.084430 (E_RNA) where: Base-Base interactions energy: -692.206 where: short stacking energy: -330.821 Base-Backbone interact. energy: -1.439 local terms energy: -348.438846 where: bonds (distance) C4'-P energy: -63.904 bonds (distance) P-C4' energy: -70.983 flat angles C4'-P-C4' energy: -76.791 flat angles P-C4'-P energy: -50.867 tors. eta vs tors. theta energy: -85.893 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: 7 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -912.952531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.952531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.952531 (E_RNA) where: Base-Base interactions energy: -602.212 where: short stacking energy: -275.624 Base-Backbone interact. energy: -1.563 local terms energy: -309.178005 where: bonds (distance) C4'-P energy: -51.487 bonds (distance) P-C4' energy: -63.925 flat angles C4'-P-C4' energy: -80.119 flat angles P-C4'-P energy: -47.708 tors. eta vs tors. theta energy: -65.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -754.070056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.070056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.070056 (E_RNA) where: Base-Base interactions energy: -463.550 where: short stacking energy: -223.368 Base-Backbone interact. energy: -0.361 local terms energy: -290.158821 where: bonds (distance) C4'-P energy: -68.030 bonds (distance) P-C4' energy: -64.164 flat angles C4'-P-C4' energy: -73.837 flat angles P-C4'-P energy: -43.239 tors. eta vs tors. theta energy: -40.888 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: 61 Temperature: 1.250000 Total energy: -669.693330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.693330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.693330 (E_RNA) where: Base-Base interactions energy: -425.772 where: short stacking energy: -209.295 Base-Backbone interact. energy: 1.989 local terms energy: -245.910025 where: bonds (distance) C4'-P energy: -59.356 bonds (distance) P-C4' energy: -64.064 flat angles C4'-P-C4' energy: -64.033 flat angles P-C4'-P energy: -31.558 tors. eta vs tors. theta energy: -26.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -535.646645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.646645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.646645 (E_RNA) where: Base-Base interactions energy: -297.329 where: short stacking energy: -169.396 Base-Backbone interact. energy: -0.407 local terms energy: -237.910302 where: bonds (distance) C4'-P energy: -54.885 bonds (distance) P-C4' energy: -76.427 flat angles C4'-P-C4' energy: -66.414 flat angles P-C4'-P energy: -29.476 tors. eta vs tors. theta energy: -10.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -410.954243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.954243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.954243 (E_RNA) where: Base-Base interactions energy: -198.061 where: short stacking energy: -123.275 Base-Backbone interact. energy: 1.602 local terms energy: -214.495214 where: bonds (distance) C4'-P energy: -46.737 bonds (distance) P-C4' energy: -75.604 flat angles C4'-P-C4' energy: -60.452 flat angles P-C4'-P energy: -33.122 tors. eta vs tors. theta energy: 1.419 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: 9 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1294.386665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.386665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.386665 (E_RNA) where: Base-Base interactions energy: -880.384 where: short stacking energy: -392.188 Base-Backbone interact. energy: -0.441 local terms energy: -413.561542 where: bonds (distance) C4'-P energy: -79.070 bonds (distance) P-C4' energy: -72.817 flat angles C4'-P-C4' energy: -85.066 flat angles P-C4'-P energy: -63.330 tors. eta vs tors. theta energy: -113.278 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: 62 Temperature: 0.950000 Total energy: -1267.261181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.261181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.261181 (E_RNA) where: Base-Base interactions energy: -874.477 where: short stacking energy: -402.426 Base-Backbone interact. energy: -0.302 local terms energy: -392.482075 where: bonds (distance) C4'-P energy: -72.867 bonds (distance) P-C4' energy: -82.185 flat angles C4'-P-C4' energy: -86.895 flat angles P-C4'-P energy: -53.071 tors. eta vs tors. theta energy: -97.464 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: 8 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1209.926019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.926019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.926019 (E_RNA) where: Base-Base interactions energy: -832.609 where: short stacking energy: -354.621 Base-Backbone interact. energy: 0.309 local terms energy: -377.626036 where: bonds (distance) C4'-P energy: -78.877 bonds (distance) P-C4' energy: -58.102 flat angles C4'-P-C4' energy: -92.601 flat angles P-C4'-P energy: -59.045 tors. eta vs tors. theta energy: -89.001 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: 3 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1170.001584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.001584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.001584 (E_RNA) where: Base-Base interactions energy: -814.694 where: short stacking energy: -330.246 Base-Backbone interact. energy: -3.005 local terms energy: -352.302661 where: bonds (distance) C4'-P energy: -69.707 bonds (distance) P-C4' energy: -59.224 flat angles C4'-P-C4' energy: -85.239 flat angles P-C4'-P energy: -47.698 tors. eta vs tors. theta energy: -90.435 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: 1 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1029.662715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.662715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.662715 (E_RNA) where: Base-Base interactions energy: -660.791 where: short stacking energy: -308.275 Base-Backbone interact. energy: -4.019 local terms energy: -364.852651 where: bonds (distance) C4'-P energy: -67.725 bonds (distance) P-C4' energy: -75.973 flat angles C4'-P-C4' energy: -80.639 flat angles P-C4'-P energy: -51.681 tors. eta vs tors. theta energy: -88.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -929.173696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.173696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.173696 (E_RNA) where: Base-Base interactions energy: -612.270 where: short stacking energy: -265.147 Base-Backbone interact. energy: -0.495 local terms energy: -316.407996 where: bonds (distance) C4'-P energy: -68.002 bonds (distance) P-C4' energy: -79.462 flat angles C4'-P-C4' energy: -67.912 flat angles P-C4'-P energy: -45.025 tors. eta vs tors. theta energy: -56.008 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: 5 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -757.885372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.885372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.885372 (E_RNA) where: Base-Base interactions energy: -443.611 where: short stacking energy: -230.978 Base-Backbone interact. energy: -0.811 local terms energy: -313.463724 where: bonds (distance) C4'-P energy: -67.537 bonds (distance) P-C4' energy: -87.234 flat angles C4'-P-C4' energy: -66.601 flat angles P-C4'-P energy: -41.648 tors. eta vs tors. theta energy: -50.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -723.593815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.593815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.593815 (E_RNA) where: Base-Base interactions energy: -442.842 where: short stacking energy: -214.399 Base-Backbone interact. energy: -0.694 local terms energy: -280.057872 where: bonds (distance) C4'-P energy: -71.625 bonds (distance) P-C4' energy: -73.011 flat angles C4'-P-C4' energy: -66.220 flat angles P-C4'-P energy: -29.693 tors. eta vs tors. theta energy: -39.509 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: 9, replica: 2 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -501.913754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.913754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.913754 (E_RNA) where: Base-Base interactions energy: -271.780 where: short stacking energy: -130.726 Base-Backbone interact. energy: -2.068 local terms energy: -228.065177 where: bonds (distance) C4'-P energy: -68.293 bonds (distance) P-C4' energy: -69.618 flat angles C4'-P-C4' energy: -57.088 flat angles P-C4'-P energy: -29.608 tors. eta vs tors. theta energy: -3.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -381.791044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.791044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.791044 (E_RNA) where: Base-Base interactions energy: -161.527 where: short stacking energy: -99.339 Base-Backbone interact. energy: 0.575 local terms energy: -220.838485 where: bonds (distance) C4'-P energy: -58.186 bonds (distance) P-C4' energy: -69.177 flat angles C4'-P-C4' energy: -58.771 flat angles P-C4'-P energy: -34.566 tors. eta vs tors. theta energy: -0.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1315.835305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.835305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.835305 (E_RNA) where: Base-Base interactions energy: -898.612 where: short stacking energy: -385.367 Base-Backbone interact. energy: -0.803 local terms energy: -416.420887 where: bonds (distance) C4'-P energy: -68.986 bonds (distance) P-C4' energy: -86.825 flat angles C4'-P-C4' energy: -85.000 flat angles P-C4'-P energy: -65.408 tors. eta vs tors. theta energy: -110.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1278.725882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.725882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.725882 (E_RNA) where: Base-Base interactions energy: -873.206 where: short stacking energy: -369.844 Base-Backbone interact. energy: -1.388 local terms energy: -404.132034 where: bonds (distance) C4'-P energy: -80.316 bonds (distance) P-C4' energy: -73.455 flat angles C4'-P-C4' energy: -86.780 flat angles P-C4'-P energy: -57.906 tors. eta vs tors. theta energy: -105.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1194.350681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.350681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.350681 (E_RNA) where: Base-Base interactions energy: -831.092 where: short stacking energy: -362.087 Base-Backbone interact. energy: 0.027 local terms energy: -363.285406 where: bonds (distance) C4'-P energy: -68.191 bonds (distance) P-C4' energy: -84.709 flat angles C4'-P-C4' energy: -72.970 flat angles P-C4'-P energy: -42.630 tors. eta vs tors. theta energy: -94.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1116.729549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.729549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.729549 (E_RNA) where: Base-Base interactions energy: -764.599 where: short stacking energy: -320.798 Base-Backbone interact. energy: -2.619 local terms energy: -349.511157 where: bonds (distance) C4'-P energy: -55.633 bonds (distance) P-C4' energy: -81.526 flat angles C4'-P-C4' energy: -82.315 flat angles P-C4'-P energy: -55.406 tors. eta vs tors. theta energy: -74.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1028.730081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.730081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.730081 (E_RNA) where: Base-Base interactions energy: -677.487 where: short stacking energy: -319.035 Base-Backbone interact. energy: -0.663 local terms energy: -350.579821 where: bonds (distance) C4'-P energy: -69.175 bonds (distance) P-C4' energy: -69.860 flat angles C4'-P-C4' energy: -80.495 flat angles P-C4'-P energy: -44.664 tors. eta vs tors. theta energy: -86.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -966.755148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.755148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.755148 (E_RNA) where: Base-Base interactions energy: -649.530 where: short stacking energy: -279.088 Base-Backbone interact. energy: 1.606 local terms energy: -318.831061 where: bonds (distance) C4'-P energy: -70.102 bonds (distance) P-C4' energy: -68.149 flat angles C4'-P-C4' energy: -68.181 flat angles P-C4'-P energy: -48.442 tors. eta vs tors. theta energy: -63.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -772.940369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.940369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.940369 (E_RNA) where: Base-Base interactions energy: -503.304 where: short stacking energy: -232.130 Base-Backbone interact. energy: 0.327 local terms energy: -269.963721 where: bonds (distance) C4'-P energy: -43.944 bonds (distance) P-C4' energy: -70.921 flat angles C4'-P-C4' energy: -71.310 flat angles P-C4'-P energy: -44.497 tors. eta vs tors. theta energy: -39.292 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: 63 Temperature: 1.250000 Total energy: -705.215927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.215927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.215927 (E_RNA) where: Base-Base interactions energy: -416.439 where: short stacking energy: -206.247 Base-Backbone interact. energy: 5.489 local terms energy: -294.265955 where: bonds (distance) C4'-P energy: -59.873 bonds (distance) P-C4' energy: -67.963 flat angles C4'-P-C4' energy: -75.690 flat angles P-C4'-P energy: -47.916 tors. eta vs tors. theta energy: -42.824 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: 2 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -501.106026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.106026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.106026 (E_RNA) where: Base-Base interactions energy: -267.765 where: short stacking energy: -132.470 Base-Backbone interact. energy: 0.214 local terms energy: -233.554880 where: bonds (distance) C4'-P energy: -61.524 bonds (distance) P-C4' energy: -71.044 flat angles C4'-P-C4' energy: -53.094 flat angles P-C4'-P energy: -36.294 tors. eta vs tors. theta energy: -11.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -382.058880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.058880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.058880 (E_RNA) where: Base-Base interactions energy: -147.551 where: short stacking energy: -104.305 Base-Backbone interact. energy: 2.978 local terms energy: -237.485570 where: bonds (distance) C4'-P energy: -70.206 bonds (distance) P-C4' energy: -71.867 flat angles C4'-P-C4' energy: -69.263 flat angles P-C4'-P energy: -30.725 tors. eta vs tors. theta energy: 4.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1303.998019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.998019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.998019 (E_RNA) where: Base-Base interactions energy: -894.880 where: short stacking energy: -364.863 Base-Backbone interact. energy: -3.811 local terms energy: -405.306810 where: bonds (distance) C4'-P energy: -76.497 bonds (distance) P-C4' energy: -82.307 flat angles C4'-P-C4' energy: -86.681 flat angles P-C4'-P energy: -58.454 tors. eta vs tors. theta energy: -101.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1264.581216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.581216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.581216 (E_RNA) where: Base-Base interactions energy: -863.954 where: short stacking energy: -372.155 Base-Backbone interact. energy: -3.655 local terms energy: -396.972043 where: bonds (distance) C4'-P energy: -70.999 bonds (distance) P-C4' energy: -80.808 flat angles C4'-P-C4' energy: -90.960 flat angles P-C4'-P energy: -54.662 tors. eta vs tors. theta energy: -99.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1222.885507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.885507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.885507 (E_RNA) where: Base-Base interactions energy: -827.206 where: short stacking energy: -363.210 Base-Backbone interact. energy: -3.175 local terms energy: -392.504827 where: bonds (distance) C4'-P energy: -73.249 bonds (distance) P-C4' energy: -80.534 flat angles C4'-P-C4' energy: -90.674 flat angles P-C4'-P energy: -51.447 tors. eta vs tors. theta energy: -96.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1123.215364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.215364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.215364 (E_RNA) where: Base-Base interactions energy: -764.974 where: short stacking energy: -316.387 Base-Backbone interact. energy: -3.622 local terms energy: -354.619703 where: bonds (distance) C4'-P energy: -74.895 bonds (distance) P-C4' energy: -70.068 flat angles C4'-P-C4' energy: -79.702 flat angles P-C4'-P energy: -47.183 tors. eta vs tors. theta energy: -82.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1049.073043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.073043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.073043 (E_RNA) where: Base-Base interactions energy: -707.653 where: short stacking energy: -313.846 Base-Backbone interact. energy: -3.049 local terms energy: -338.370921 where: bonds (distance) C4'-P energy: -60.255 bonds (distance) P-C4' energy: -77.484 flat angles C4'-P-C4' energy: -78.088 flat angles P-C4'-P energy: -35.660 tors. eta vs tors. theta energy: -86.885 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: 7 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -902.270490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.270490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.270490 (E_RNA) where: Base-Base interactions energy: -567.518 where: short stacking energy: -267.586 Base-Backbone interact. energy: -2.340 local terms energy: -332.412371 where: bonds (distance) C4'-P energy: -68.315 bonds (distance) P-C4' energy: -72.294 flat angles C4'-P-C4' energy: -74.247 flat angles P-C4'-P energy: -61.236 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: 7, replica: 5 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -788.269920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.269920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.269920 (E_RNA) where: Base-Base interactions energy: -472.924 where: short stacking energy: -216.295 Base-Backbone interact. energy: -1.542 local terms energy: -313.803782 where: bonds (distance) C4'-P energy: -74.428 bonds (distance) P-C4' energy: -71.472 flat angles C4'-P-C4' energy: -76.834 flat angles P-C4'-P energy: -44.641 tors. eta vs tors. theta energy: -46.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -683.140767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.140767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.140767 (E_RNA) where: Base-Base interactions energy: -426.551 where: short stacking energy: -196.346 Base-Backbone interact. energy: -1.018 local terms energy: -255.571738 where: bonds (distance) C4'-P energy: -63.186 bonds (distance) P-C4' energy: -69.686 flat angles C4'-P-C4' energy: -63.866 flat angles P-C4'-P energy: -34.319 tors. eta vs tors. theta energy: -24.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -530.115647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.115647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.115647 (E_RNA) where: Base-Base interactions energy: -285.502 where: short stacking energy: -159.070 Base-Backbone interact. energy: -1.259 local terms energy: -243.355095 where: bonds (distance) C4'-P energy: -51.895 bonds (distance) P-C4' energy: -74.245 flat angles C4'-P-C4' energy: -66.942 flat angles P-C4'-P energy: -35.016 tors. eta vs tors. theta energy: -15.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -397.543386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.543386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.543386 (E_RNA) where: Base-Base interactions energy: -171.696 where: short stacking energy: -104.709 Base-Backbone interact. energy: 9.843 local terms energy: -235.690222 where: bonds (distance) C4'-P energy: -73.626 bonds (distance) P-C4' energy: -67.913 flat angles C4'-P-C4' energy: -57.948 flat angles P-C4'-P energy: -37.239 tors. eta vs tors. theta energy: 1.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1313.958462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.958462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.958462 (E_RNA) where: Base-Base interactions energy: -895.900 where: short stacking energy: -374.086 Base-Backbone interact. energy: -0.872 local terms energy: -417.185694 where: bonds (distance) C4'-P energy: -77.318 bonds (distance) P-C4' energy: -83.320 flat angles C4'-P-C4' energy: -89.345 flat angles P-C4'-P energy: -51.402 tors. eta vs tors. theta energy: -115.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1236.293719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.293719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.293719 (E_RNA) where: Base-Base interactions energy: -853.294 where: short stacking energy: -376.791 Base-Backbone interact. energy: -2.107 local terms energy: -380.891996 where: bonds (distance) C4'-P energy: -80.539 bonds (distance) P-C4' energy: -64.688 flat angles C4'-P-C4' energy: -87.099 flat angles P-C4'-P energy: -56.859 tors. eta vs tors. theta energy: -91.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1215.219897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.219897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.219897 (E_RNA) where: Base-Base interactions energy: -813.941 where: short stacking energy: -357.276 Base-Backbone interact. energy: -2.000 local terms energy: -399.278856 where: bonds (distance) C4'-P energy: -78.899 bonds (distance) P-C4' energy: -76.992 flat angles C4'-P-C4' energy: -88.871 flat angles P-C4'-P energy: -53.011 tors. eta vs tors. theta energy: -101.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1138.756498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.756498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.756498 (E_RNA) where: Base-Base interactions energy: -750.752 where: short stacking energy: -336.845 Base-Backbone interact. energy: -0.852 local terms energy: -387.152004 where: bonds (distance) C4'-P energy: -79.525 bonds (distance) P-C4' energy: -83.762 flat angles C4'-P-C4' energy: -82.400 flat angles P-C4'-P energy: -51.286 tors. eta vs tors. theta energy: -90.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1093.535988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.535988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.535988 (E_RNA) where: Base-Base interactions energy: -748.116 where: short stacking energy: -311.363 Base-Backbone interact. energy: -0.511 local terms energy: -344.909198 where: bonds (distance) C4'-P energy: -62.455 bonds (distance) P-C4' energy: -75.753 flat angles C4'-P-C4' energy: -73.515 flat angles P-C4'-P energy: -44.965 tors. eta vs tors. theta energy: -88.220 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: 6, replica: 7 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -973.510716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.510716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.510716 (E_RNA) where: Base-Base interactions energy: -638.150 where: short stacking energy: -308.310 Base-Backbone interact. energy: -0.350 local terms energy: -335.010323 where: bonds (distance) C4'-P energy: -66.091 bonds (distance) P-C4' energy: -63.582 flat angles C4'-P-C4' energy: -66.377 flat angles P-C4'-P energy: -52.901 tors. eta vs tors. theta energy: -86.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -776.249374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.249374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.249374 (E_RNA) where: Base-Base interactions energy: -497.366 where: short stacking energy: -222.211 Base-Backbone interact. energy: -0.822 local terms energy: -278.060996 where: bonds (distance) C4'-P energy: -54.368 bonds (distance) P-C4' energy: -78.956 flat angles C4'-P-C4' energy: -66.034 flat angles P-C4'-P energy: -39.781 tors. eta vs tors. theta energy: -38.921 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: 65 Temperature: 1.250000 Total energy: -675.940815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.940815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.940815 (E_RNA) where: Base-Base interactions energy: -418.112 where: short stacking energy: -193.434 Base-Backbone interact. energy: -2.598 local terms energy: -255.230876 where: bonds (distance) C4'-P energy: -61.261 bonds (distance) P-C4' energy: -72.330 flat angles C4'-P-C4' energy: -56.918 flat angles P-C4'-P energy: -52.277 tors. eta vs tors. theta energy: -12.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -519.116768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.116768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.116768 (E_RNA) where: Base-Base interactions energy: -261.192 where: short stacking energy: -144.627 Base-Backbone interact. energy: -1.906 local terms energy: -256.018465 where: bonds (distance) C4'-P energy: -65.423 bonds (distance) P-C4' energy: -68.723 flat angles C4'-P-C4' energy: -64.142 flat angles P-C4'-P energy: -43.531 tors. eta vs tors. theta energy: -14.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -358.986531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.986531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.986531 (E_RNA) where: Base-Base interactions energy: -151.646 where: short stacking energy: -98.232 Base-Backbone interact. energy: 0.792 local terms energy: -208.132444 where: bonds (distance) C4'-P energy: -52.960 bonds (distance) P-C4' energy: -69.786 flat angles C4'-P-C4' energy: -58.731 flat angles P-C4'-P energy: -31.160 tors. eta vs tors. theta energy: 4.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1319.824069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.824069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.824069 (E_RNA) where: Base-Base interactions energy: -914.745 where: short stacking energy: -377.441 Base-Backbone interact. energy: -1.736 local terms energy: -403.342797 where: bonds (distance) C4'-P energy: -77.714 bonds (distance) P-C4' energy: -76.646 flat angles C4'-P-C4' energy: -83.051 flat angles P-C4'-P energy: -57.199 tors. eta vs tors. theta energy: -108.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1285.174462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.174462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.174462 (E_RNA) where: Base-Base interactions energy: -882.866 where: short stacking energy: -384.864 Base-Backbone interact. energy: -1.416 local terms energy: -400.891982 where: bonds (distance) C4'-P energy: -73.020 bonds (distance) P-C4' energy: -73.921 flat angles C4'-P-C4' energy: -89.832 flat angles P-C4'-P energy: -63.938 tors. eta vs tors. theta energy: -100.181 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: 10 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1231.921797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.921797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.921797 (E_RNA) where: Base-Base interactions energy: -832.977 where: short stacking energy: -357.486 Base-Backbone interact. energy: -2.723 local terms energy: -396.221007 where: bonds (distance) C4'-P energy: -77.225 bonds (distance) P-C4' energy: -75.608 flat angles C4'-P-C4' energy: -92.834 flat angles P-C4'-P energy: -49.899 tors. eta vs tors. theta energy: -100.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1106.010757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.010757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.010757 (E_RNA) where: Base-Base interactions energy: -740.721 where: short stacking energy: -340.184 Base-Backbone interact. energy: -2.372 local terms energy: -362.917128 where: bonds (distance) C4'-P energy: -68.980 bonds (distance) P-C4' energy: -81.284 flat angles C4'-P-C4' energy: -79.962 flat angles P-C4'-P energy: -43.286 tors. eta vs tors. theta energy: -89.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1088.741145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.741145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.741145 (E_RNA) where: Base-Base interactions energy: -733.018 where: short stacking energy: -307.596 Base-Backbone interact. energy: -0.637 local terms energy: -355.086627 where: bonds (distance) C4'-P energy: -69.941 bonds (distance) P-C4' energy: -69.002 flat angles C4'-P-C4' energy: -81.391 flat angles P-C4'-P energy: -45.596 tors. eta vs tors. theta energy: -89.156 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: 7 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -987.471783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.471783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.471783 (E_RNA) where: Base-Base interactions energy: -660.242 where: short stacking energy: -296.132 Base-Backbone interact. energy: -2.434 local terms energy: -324.796233 where: bonds (distance) C4'-P energy: -63.146 bonds (distance) P-C4' energy: -75.884 flat angles C4'-P-C4' energy: -70.168 flat angles P-C4'-P energy: -46.027 tors. eta vs tors. theta energy: -69.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -721.854116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.854116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.854116 (E_RNA) where: Base-Base interactions energy: -440.413 where: short stacking energy: -221.815 Base-Backbone interact. energy: 1.738 local terms energy: -283.178623 where: bonds (distance) C4'-P energy: -83.198 bonds (distance) P-C4' energy: -61.917 flat angles C4'-P-C4' energy: -60.285 flat angles P-C4'-P energy: -42.971 tors. eta vs tors. theta energy: -34.807 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: 5 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -804.312595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.312595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.312595 (E_RNA) where: Base-Base interactions energy: -517.869 where: short stacking energy: -255.477 Base-Backbone interact. energy: 4.164 local terms energy: -290.607811 where: bonds (distance) C4'-P energy: -56.532 bonds (distance) P-C4' energy: -54.749 flat angles C4'-P-C4' energy: -65.799 flat angles P-C4'-P energy: -52.832 tors. eta vs tors. theta energy: -60.696 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: 2 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -525.112781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.112781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.112781 (E_RNA) where: Base-Base interactions energy: -278.529 where: short stacking energy: -143.622 Base-Backbone interact. energy: -1.752 local terms energy: -244.831677 where: bonds (distance) C4'-P energy: -75.548 bonds (distance) P-C4' energy: -66.585 flat angles C4'-P-C4' energy: -53.601 flat angles P-C4'-P energy: -41.423 tors. eta vs tors. theta energy: -7.675 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: 4 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -339.302755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.302755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.302755 (E_RNA) where: Base-Base interactions energy: -121.631 where: short stacking energy: -101.195 Base-Backbone interact. energy: -2.054 local terms energy: -215.618176 where: bonds (distance) C4'-P energy: -65.868 bonds (distance) P-C4' energy: -63.629 flat angles C4'-P-C4' energy: -57.701 flat angles P-C4'-P energy: -29.833 tors. eta vs tors. theta energy: 1.414 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: 9 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1351.738389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.738389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.738389 (E_RNA) where: Base-Base interactions energy: -906.732 where: short stacking energy: -370.835 Base-Backbone interact. energy: -3.412 local terms energy: -441.594477 where: bonds (distance) C4'-P energy: -82.816 bonds (distance) P-C4' energy: -80.340 flat angles C4'-P-C4' energy: -95.709 flat angles P-C4'-P energy: -63.896 tors. eta vs tors. theta energy: -118.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1289.685682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.685682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.685682 (E_RNA) where: Base-Base interactions energy: -894.097 where: short stacking energy: -368.600 Base-Backbone interact. energy: -2.132 local terms energy: -393.456122 where: bonds (distance) C4'-P energy: -80.537 bonds (distance) P-C4' energy: -71.335 flat angles C4'-P-C4' energy: -82.455 flat angles P-C4'-P energy: -68.072 tors. eta vs tors. theta energy: -91.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1220.147592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.147592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.147592 (E_RNA) where: Base-Base interactions energy: -846.115 where: short stacking energy: -365.444 Base-Backbone interact. energy: -3.178 local terms energy: -370.854397 where: bonds (distance) C4'-P energy: -63.522 bonds (distance) P-C4' energy: -72.601 flat angles C4'-P-C4' energy: -84.648 flat angles P-C4'-P energy: -51.072 tors. eta vs tors. theta energy: -99.011 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: 1 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1097.930444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.930444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.930444 (E_RNA) where: Base-Base interactions energy: -738.081 where: short stacking energy: -335.342 Base-Backbone interact. energy: -2.726 local terms energy: -357.123816 where: bonds (distance) C4'-P energy: -80.377 bonds (distance) P-C4' energy: -69.417 flat angles C4'-P-C4' energy: -71.460 flat angles P-C4'-P energy: -40.626 tors. eta vs tors. theta energy: -95.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1108.831294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.831294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.831294 (E_RNA) where: Base-Base interactions energy: -769.535 where: short stacking energy: -348.875 Base-Backbone interact. energy: 0.187 local terms energy: -339.483771 where: bonds (distance) C4'-P energy: -57.116 bonds (distance) P-C4' energy: -68.352 flat angles C4'-P-C4' energy: -82.478 flat angles P-C4'-P energy: -43.226 tors. eta vs tors. theta energy: -88.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -987.254869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.254869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.254869 (E_RNA) where: Base-Base interactions energy: -654.090 where: short stacking energy: -284.226 Base-Backbone interact. energy: -2.609 local terms energy: -330.555530 where: bonds (distance) C4'-P energy: -67.885 bonds (distance) P-C4' energy: -72.233 flat angles C4'-P-C4' energy: -71.241 flat angles P-C4'-P energy: -52.542 tors. eta vs tors. theta energy: -66.655 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: 7, replica: 6 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -676.227851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.227851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.227851 (E_RNA) where: Base-Base interactions energy: -379.554 where: short stacking energy: -198.235 Base-Backbone interact. energy: -1.351 local terms energy: -295.322362 where: bonds (distance) C4'-P energy: -64.913 bonds (distance) P-C4' energy: -82.757 flat angles C4'-P-C4' energy: -73.918 flat angles P-C4'-P energy: -45.404 tors. eta vs tors. theta energy: -28.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -728.218187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.218187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.218187 (E_RNA) where: Base-Base interactions energy: -470.117 where: short stacking energy: -211.787 Base-Backbone interact. energy: -1.038 local terms energy: -257.063263 where: bonds (distance) C4'-P energy: -61.857 bonds (distance) P-C4' energy: -56.618 flat angles C4'-P-C4' energy: -57.531 flat angles P-C4'-P energy: -41.263 tors. eta vs tors. theta energy: -39.794 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: 2 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -523.782461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.782461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.782461 (E_RNA) where: Base-Base interactions energy: -297.080 where: short stacking energy: -156.613 Base-Backbone interact. energy: -1.468 local terms energy: -225.234723 where: bonds (distance) C4'-P energy: -61.045 bonds (distance) P-C4' energy: -56.117 flat angles C4'-P-C4' energy: -72.134 flat angles P-C4'-P energy: -26.847 tors. eta vs tors. theta energy: -9.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -325.928065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.928065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.928065 (E_RNA) where: Base-Base interactions energy: -142.189 where: short stacking energy: -101.966 Base-Backbone interact. energy: 7.050 local terms energy: -190.789688 where: bonds (distance) C4'-P energy: -62.881 bonds (distance) P-C4' energy: -57.111 flat angles C4'-P-C4' energy: -51.111 flat angles P-C4'-P energy: -33.603 tors. eta vs tors. theta energy: 13.917 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: 9 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1354.035693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.035693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.035693 (E_RNA) where: Base-Base interactions energy: -932.856 where: short stacking energy: -396.482 Base-Backbone interact. energy: -3.362 local terms energy: -417.818098 where: bonds (distance) C4'-P energy: -82.894 bonds (distance) P-C4' energy: -79.157 flat angles C4'-P-C4' energy: -80.551 flat angles P-C4'-P energy: -60.010 tors. eta vs tors. theta energy: -115.206 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: 8 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1290.244798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.244798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.244798 (E_RNA) where: Base-Base interactions energy: -889.494 where: short stacking energy: -367.742 Base-Backbone interact. energy: -0.477 local terms energy: -400.273015 where: bonds (distance) C4'-P energy: -80.388 bonds (distance) P-C4' energy: -77.543 flat angles C4'-P-C4' energy: -85.712 flat angles P-C4'-P energy: -57.972 tors. eta vs tors. theta energy: -98.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1213.815215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.815215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.815215 (E_RNA) where: Base-Base interactions energy: -813.284 where: short stacking energy: -390.703 Base-Backbone interact. energy: -2.081 local terms energy: -398.450435 where: bonds (distance) C4'-P energy: -70.466 bonds (distance) P-C4' energy: -74.272 flat angles C4'-P-C4' energy: -85.284 flat angles P-C4'-P energy: -54.962 tors. eta vs tors. theta energy: -113.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1132.162339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.162339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.162339 (E_RNA) where: Base-Base interactions energy: -754.715 where: short stacking energy: -335.801 Base-Backbone interact. energy: -3.438 local terms energy: -374.009678 where: bonds (distance) C4'-P energy: -69.651 bonds (distance) P-C4' energy: -72.615 flat angles C4'-P-C4' energy: -76.628 flat angles P-C4'-P energy: -49.951 tors. eta vs tors. theta energy: -105.164 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: 3 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1130.404723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.404723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.404723 (E_RNA) where: Base-Base interactions energy: -786.000 where: short stacking energy: -352.488 Base-Backbone interact. energy: -2.944 local terms energy: -341.460569 where: bonds (distance) C4'-P energy: -61.699 bonds (distance) P-C4' energy: -62.696 flat angles C4'-P-C4' energy: -82.866 flat angles P-C4'-P energy: -46.557 tors. eta vs tors. theta energy: -87.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -960.105832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.105832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.105832 (E_RNA) where: Base-Base interactions energy: -627.971 where: short stacking energy: -291.005 Base-Backbone interact. energy: 1.733 local terms energy: -333.867128 where: bonds (distance) C4'-P energy: -62.884 bonds (distance) P-C4' energy: -65.411 flat angles C4'-P-C4' energy: -73.891 flat angles P-C4'-P energy: -61.521 tors. eta vs tors. theta energy: -70.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -807.136250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.136250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.136250 (E_RNA) where: Base-Base interactions energy: -516.481 where: short stacking energy: -252.532 Base-Backbone interact. energy: 2.068 local terms energy: -292.723949 where: bonds (distance) C4'-P energy: -46.106 bonds (distance) P-C4' energy: -61.073 flat angles C4'-P-C4' energy: -79.015 flat angles P-C4'-P energy: -39.443 tors. eta vs tors. theta energy: -67.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -597.724976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.724976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.724976 (E_RNA) where: Base-Base interactions energy: -333.173 where: short stacking energy: -174.821 Base-Backbone interact. energy: 3.438 local terms energy: -267.990021 where: bonds (distance) C4'-P energy: -65.482 bonds (distance) P-C4' energy: -83.832 flat angles C4'-P-C4' energy: -48.611 flat angles P-C4'-P energy: -39.318 tors. eta vs tors. theta energy: -30.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -530.155068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.155068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.155068 (E_RNA) where: Base-Base interactions energy: -295.648 where: short stacking energy: -157.518 Base-Backbone interact. energy: 1.564 local terms energy: -236.071938 where: bonds (distance) C4'-P energy: -53.490 bonds (distance) P-C4' energy: -77.977 flat angles C4'-P-C4' energy: -55.623 flat angles P-C4'-P energy: -23.269 tors. eta vs tors. theta energy: -25.714 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: 10, replica: 4 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -348.785911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.785911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.785911 (E_RNA) where: Base-Base interactions energy: -150.292 where: short stacking energy: -113.285 Base-Backbone interact. energy: -0.792 local terms energy: -197.701902 where: bonds (distance) C4'-P energy: -55.970 bonds (distance) P-C4' energy: -62.170 flat angles C4'-P-C4' energy: -55.852 flat angles P-C4'-P energy: -30.118 tors. eta vs tors. theta energy: 6.408 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: 9 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1326.582754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.582754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.582754 (E_RNA) where: Base-Base interactions energy: -897.388 where: short stacking energy: -386.707 Base-Backbone interact. energy: -3.118 local terms energy: -426.076122 where: bonds (distance) C4'-P energy: -83.704 bonds (distance) P-C4' energy: -85.469 flat angles C4'-P-C4' energy: -85.022 flat angles P-C4'-P energy: -59.520 tors. eta vs tors. theta energy: -112.362 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: 8 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1274.704604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.704604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.704604 (E_RNA) where: Base-Base interactions energy: -880.022 where: short stacking energy: -375.331 Base-Backbone interact. energy: -1.812 local terms energy: -392.870039 where: bonds (distance) C4'-P energy: -74.329 bonds (distance) P-C4' energy: -84.632 flat angles C4'-P-C4' energy: -78.710 flat angles P-C4'-P energy: -57.558 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: 3, replica: 10 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1245.266964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.266964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.266964 (E_RNA) where: Base-Base interactions energy: -842.447 where: short stacking energy: -369.343 Base-Backbone interact. energy: -2.565 local terms energy: -400.255082 where: bonds (distance) C4'-P energy: -80.703 bonds (distance) P-C4' energy: -76.474 flat angles C4'-P-C4' energy: -77.829 flat angles P-C4'-P energy: -55.904 tors. eta vs tors. theta energy: -109.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1130.121576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.121576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.121576 (E_RNA) where: Base-Base interactions energy: -760.984 where: short stacking energy: -340.067 Base-Backbone interact. energy: 0.244 local terms energy: -369.382124 where: bonds (distance) C4'-P energy: -71.877 bonds (distance) P-C4' energy: -69.857 flat angles C4'-P-C4' energy: -89.770 flat angles P-C4'-P energy: -50.261 tors. eta vs tors. theta energy: -87.617 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: 3 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1078.852893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.852893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.852893 (E_RNA) where: Base-Base interactions energy: -720.056 where: short stacking energy: -296.192 Base-Backbone interact. energy: -2.083 local terms energy: -356.713811 where: bonds (distance) C4'-P energy: -77.898 bonds (distance) P-C4' energy: -72.067 flat angles C4'-P-C4' energy: -77.694 flat angles P-C4'-P energy: -54.414 tors. eta vs tors. theta energy: -74.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -984.059288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.059288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.059288 (E_RNA) where: Base-Base interactions energy: -649.677 where: short stacking energy: -285.045 Base-Backbone interact. energy: -0.810 local terms energy: -333.572356 where: bonds (distance) C4'-P energy: -61.311 bonds (distance) P-C4' energy: -78.844 flat angles C4'-P-C4' energy: -73.212 flat angles P-C4'-P energy: -49.328 tors. eta vs tors. theta energy: -70.878 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: 5 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -833.742899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.742899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.742899 (E_RNA) where: Base-Base interactions energy: -518.431 where: short stacking energy: -249.085 Base-Backbone interact. energy: -1.474 local terms energy: -313.838463 where: bonds (distance) C4'-P energy: -74.097 bonds (distance) P-C4' energy: -69.640 flat angles C4'-P-C4' energy: -61.897 flat angles P-C4'-P energy: -44.142 tors. eta vs tors. theta energy: -64.062 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: 2 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -576.885748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.885748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.885748 (E_RNA) where: Base-Base interactions energy: -312.002 where: short stacking energy: -169.502 Base-Backbone interact. energy: -1.719 local terms energy: -263.164282 where: bonds (distance) C4'-P energy: -69.724 bonds (distance) P-C4' energy: -56.366 flat angles C4'-P-C4' energy: -61.384 flat angles P-C4'-P energy: -39.503 tors. eta vs tors. theta energy: -36.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -579.207163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.207163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.207163 (E_RNA) where: Base-Base interactions energy: -321.853 where: short stacking energy: -162.516 Base-Backbone interact. energy: -0.669 local terms energy: -256.685289 where: bonds (distance) C4'-P energy: -64.022 bonds (distance) P-C4' energy: -79.704 flat angles C4'-P-C4' energy: -58.193 flat angles P-C4'-P energy: -39.761 tors. eta vs tors. theta energy: -15.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -383.664488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.664488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.664488 (E_RNA) where: Base-Base interactions energy: -177.245 where: short stacking energy: -106.368 Base-Backbone interact. energy: -0.495 local terms energy: -205.923726 where: bonds (distance) C4'-P energy: -69.016 bonds (distance) P-C4' energy: -57.872 flat angles C4'-P-C4' energy: -59.107 flat angles P-C4'-P energy: -20.385 tors. eta vs tors. theta energy: 0.456 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: 1, replica: 9 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1361.019539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.019539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.019539 (E_RNA) where: Base-Base interactions energy: -951.755 where: short stacking energy: -405.873 Base-Backbone interact. energy: -2.849 local terms energy: -406.415446 where: bonds (distance) C4'-P energy: -73.993 bonds (distance) P-C4' energy: -76.219 flat angles C4'-P-C4' energy: -86.841 flat angles P-C4'-P energy: -52.270 tors. eta vs tors. theta energy: -117.092 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: 8 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1243.141246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.141246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.141246 (E_RNA) where: Base-Base interactions energy: -846.067 where: short stacking energy: -360.791 Base-Backbone interact. energy: -0.721 local terms energy: -396.353244 where: bonds (distance) C4'-P energy: -76.181 bonds (distance) P-C4' energy: -78.397 flat angles C4'-P-C4' energy: -84.592 flat angles P-C4'-P energy: -59.815 tors. eta vs tors. theta energy: -97.368 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: 3, replica: 10 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1230.165522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.165522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.165522 (E_RNA) where: Base-Base interactions energy: -813.800 where: short stacking energy: -359.070 Base-Backbone interact. energy: -5.914 local terms energy: -410.451494 where: bonds (distance) C4'-P energy: -77.089 bonds (distance) P-C4' energy: -79.858 flat angles C4'-P-C4' energy: -81.498 flat angles P-C4'-P energy: -66.810 tors. eta vs tors. theta energy: -105.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1156.626360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.626360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.626360 (E_RNA) where: Base-Base interactions energy: -793.308 where: short stacking energy: -355.696 Base-Backbone interact. energy: -1.844 local terms energy: -361.475088 where: bonds (distance) C4'-P energy: -67.831 bonds (distance) P-C4' energy: -62.818 flat angles C4'-P-C4' energy: -81.494 flat angles P-C4'-P energy: -52.780 tors. eta vs tors. theta energy: -96.553 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: 3 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1084.241634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.241634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.241634 (E_RNA) where: Base-Base interactions energy: -750.442 where: short stacking energy: -315.146 Base-Backbone interact. energy: -2.091 local terms energy: -331.708405 where: bonds (distance) C4'-P energy: -70.671 bonds (distance) P-C4' energy: -60.170 flat angles C4'-P-C4' energy: -80.718 flat angles P-C4'-P energy: -48.036 tors. eta vs tors. theta energy: -72.113 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: 7 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -939.899083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.899083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.899083 (E_RNA) where: Base-Base interactions energy: -620.157 where: short stacking energy: -268.201 Base-Backbone interact. energy: -2.146 local terms energy: -317.596269 where: bonds (distance) C4'-P energy: -75.492 bonds (distance) P-C4' energy: -66.874 flat angles C4'-P-C4' energy: -72.582 flat angles P-C4'-P energy: -39.736 tors. eta vs tors. theta energy: -62.911 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: 5 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -837.354483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.354483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.354483 (E_RNA) where: Base-Base interactions energy: -524.894 where: short stacking energy: -254.871 Base-Backbone interact. energy: -0.602 local terms energy: -311.858044 where: bonds (distance) C4'-P energy: -65.617 bonds (distance) P-C4' energy: -69.235 flat angles C4'-P-C4' energy: -71.193 flat angles P-C4'-P energy: -47.399 tors. eta vs tors. theta energy: -58.414 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: 2 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -586.799025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.799025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.799025 (E_RNA) where: Base-Base interactions energy: -334.591 where: short stacking energy: -180.786 Base-Backbone interact. energy: 3.534 local terms energy: -255.742123 where: bonds (distance) C4'-P energy: -65.639 bonds (distance) P-C4' energy: -74.719 flat angles C4'-P-C4' energy: -47.908 flat angles P-C4'-P energy: -44.099 tors. eta vs tors. theta energy: -23.378 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: 6 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -565.406594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.406594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.406594 (E_RNA) where: Base-Base interactions energy: -333.765 where: short stacking energy: -170.054 Base-Backbone interact. energy: -2.060 local terms energy: -229.582173 where: bonds (distance) C4'-P energy: -53.848 bonds (distance) P-C4' energy: -67.703 flat angles C4'-P-C4' energy: -73.332 flat angles P-C4'-P energy: -33.125 tors. eta vs tors. theta energy: -1.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -392.036747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.036747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.036747 (E_RNA) where: Base-Base interactions energy: -168.155 where: short stacking energy: -110.774 Base-Backbone interact. energy: 3.420 local terms energy: -227.301645 where: bonds (distance) C4'-P energy: -62.635 bonds (distance) P-C4' energy: -60.182 flat angles C4'-P-C4' energy: -60.261 flat angles P-C4'-P energy: -41.440 tors. eta vs tors. theta energy: -2.783 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: 9 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1344.768862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.768862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.768862 (E_RNA) where: Base-Base interactions energy: -926.618 where: short stacking energy: -393.165 Base-Backbone interact. energy: -0.875 local terms energy: -417.275795 where: bonds (distance) C4'-P energy: -80.184 bonds (distance) P-C4' energy: -83.502 flat angles C4'-P-C4' energy: -86.506 flat angles P-C4'-P energy: -55.088 tors. eta vs tors. theta energy: -111.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1300.923917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.923917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.923917 (E_RNA) where: Base-Base interactions energy: -918.881 where: short stacking energy: -372.480 Base-Backbone interact. energy: -1.327 local terms energy: -380.715431 where: bonds (distance) C4'-P energy: -81.368 bonds (distance) P-C4' energy: -65.853 flat angles C4'-P-C4' energy: -85.517 flat angles P-C4'-P energy: -57.014 tors. eta vs tors. theta energy: -90.964 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: 10 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1217.934216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.934216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.934216 (E_RNA) where: Base-Base interactions energy: -829.082 where: short stacking energy: -357.649 Base-Backbone interact. energy: -3.248 local terms energy: -385.603784 where: bonds (distance) C4'-P energy: -70.318 bonds (distance) P-C4' energy: -81.958 flat angles C4'-P-C4' energy: -82.569 flat angles P-C4'-P energy: -54.005 tors. eta vs tors. theta energy: -96.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1124.346502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.346502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.346502 (E_RNA) where: Base-Base interactions energy: -753.790 where: short stacking energy: -337.152 Base-Backbone interact. energy: 2.784 local terms energy: -373.340938 where: bonds (distance) C4'-P energy: -62.115 bonds (distance) P-C4' energy: -78.645 flat angles C4'-P-C4' energy: -80.074 flat angles P-C4'-P energy: -55.176 tors. eta vs tors. theta energy: -97.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1055.256777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.256777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.256777 (E_RNA) where: Base-Base interactions energy: -693.460 where: short stacking energy: -284.312 Base-Backbone interact. energy: 2.394 local terms energy: -364.190779 where: bonds (distance) C4'-P energy: -74.782 bonds (distance) P-C4' energy: -79.326 flat angles C4'-P-C4' energy: -83.296 flat angles P-C4'-P energy: -54.963 tors. eta vs tors. theta energy: -71.825 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: 7 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -973.253135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.253135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.253135 (E_RNA) where: Base-Base interactions energy: -632.598 where: short stacking energy: -289.047 Base-Backbone interact. energy: -1.470 local terms energy: -339.184213 where: bonds (distance) C4'-P energy: -63.555 bonds (distance) P-C4' energy: -74.724 flat angles C4'-P-C4' energy: -76.577 flat angles P-C4'-P energy: -52.976 tors. eta vs tors. theta energy: -71.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -804.580298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.580298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.580298 (E_RNA) where: Base-Base interactions energy: -493.300 where: short stacking energy: -223.768 Base-Backbone interact. energy: 0.316 local terms energy: -311.595510 where: bonds (distance) C4'-P energy: -70.414 bonds (distance) P-C4' energy: -77.159 flat angles C4'-P-C4' energy: -74.347 flat angles P-C4'-P energy: -48.052 tors. eta vs tors. theta energy: -41.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -569.532414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.532414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.532414 (E_RNA) where: Base-Base interactions energy: -344.038 where: short stacking energy: -161.587 Base-Backbone interact. energy: -1.128 local terms energy: -224.366625 where: bonds (distance) C4'-P energy: -63.487 bonds (distance) P-C4' energy: -69.639 flat angles C4'-P-C4' energy: -55.851 flat angles P-C4'-P energy: -32.504 tors. eta vs tors. theta energy: -2.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -699.743154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.743154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.743154 (E_RNA) where: Base-Base interactions energy: -433.877 where: short stacking energy: -214.093 Base-Backbone interact. energy: -2.295 local terms energy: -263.571094 where: bonds (distance) C4'-P energy: -67.212 bonds (distance) P-C4' energy: -69.582 flat angles C4'-P-C4' energy: -61.269 flat angles P-C4'-P energy: -35.172 tors. eta vs tors. theta energy: -30.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -408.278973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.278973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.278973 (E_RNA) where: Base-Base interactions energy: -200.196 where: short stacking energy: -116.881 Base-Backbone interact. energy: 2.877 local terms energy: -210.959332 where: bonds (distance) C4'-P energy: -73.602 bonds (distance) P-C4' energy: -77.975 flat angles C4'-P-C4' energy: -46.170 flat angles P-C4'-P energy: -24.277 tors. eta vs tors. theta energy: 11.064 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: 1, replica: 9 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1350.935450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.935450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.935450 (E_RNA) where: Base-Base interactions energy: -926.467 where: short stacking energy: -380.180 Base-Backbone interact. energy: -2.544 local terms energy: -421.924254 where: bonds (distance) C4'-P energy: -76.796 bonds (distance) P-C4' energy: -83.822 flat angles C4'-P-C4' energy: -91.980 flat angles P-C4'-P energy: -58.806 tors. eta vs tors. theta energy: -110.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1285.382782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.382782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.382782 (E_RNA) where: Base-Base interactions energy: -890.996 where: short stacking energy: -370.422 Base-Backbone interact. energy: 0.850 local terms energy: -395.236804 where: bonds (distance) C4'-P energy: -78.121 bonds (distance) P-C4' energy: -77.867 flat angles C4'-P-C4' energy: -87.581 flat angles P-C4'-P energy: -56.246 tors. eta vs tors. theta energy: -95.423 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: 10 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1219.600703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.600703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.600703 (E_RNA) where: Base-Base interactions energy: -831.025 where: short stacking energy: -365.378 Base-Backbone interact. energy: -1.478 local terms energy: -387.098234 where: bonds (distance) C4'-P energy: -63.414 bonds (distance) P-C4' energy: -72.086 flat angles C4'-P-C4' energy: -81.765 flat angles P-C4'-P energy: -61.430 tors. eta vs tors. theta energy: -108.404 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: 1 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1114.131936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.131936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.131936 (E_RNA) where: Base-Base interactions energy: -743.683 where: short stacking energy: -320.913 Base-Backbone interact. energy: -1.692 local terms energy: -368.756979 where: bonds (distance) C4'-P energy: -82.586 bonds (distance) P-C4' energy: -79.346 flat angles C4'-P-C4' energy: -77.788 flat angles P-C4'-P energy: -47.502 tors. eta vs tors. theta energy: -81.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1026.870398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.870398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.870398 (E_RNA) where: Base-Base interactions energy: -691.210 where: short stacking energy: -306.164 Base-Backbone interact. energy: -1.817 local terms energy: -333.843366 where: bonds (distance) C4'-P energy: -69.347 bonds (distance) P-C4' energy: -76.380 flat angles C4'-P-C4' energy: -77.798 flat angles P-C4'-P energy: -45.147 tors. eta vs tors. theta energy: -65.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -924.053625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.053625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.053625 (E_RNA) where: Base-Base interactions energy: -593.048 where: short stacking energy: -277.578 Base-Backbone interact. energy: -0.955 local terms energy: -330.051070 where: bonds (distance) C4'-P energy: -78.401 bonds (distance) P-C4' energy: -64.397 flat angles C4'-P-C4' energy: -69.319 flat angles P-C4'-P energy: -50.526 tors. eta vs tors. theta energy: -67.409 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: 5 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -842.202132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.202132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.202132 (E_RNA) where: Base-Base interactions energy: -537.603 where: short stacking energy: -240.823 Base-Backbone interact. energy: 2.128 local terms energy: -306.726563 where: bonds (distance) C4'-P energy: -63.122 bonds (distance) P-C4' energy: -75.044 flat angles C4'-P-C4' energy: -64.968 flat angles P-C4'-P energy: -48.288 tors. eta vs tors. theta energy: -55.305 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: 2 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -606.982291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.982291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.982291 (E_RNA) where: Base-Base interactions energy: -353.792 where: short stacking energy: -165.835 Base-Backbone interact. energy: -1.289 local terms energy: -251.901105 where: bonds (distance) C4'-P energy: -57.727 bonds (distance) P-C4' energy: -57.083 flat angles C4'-P-C4' energy: -77.700 flat angles P-C4'-P energy: -28.810 tors. eta vs tors. theta energy: -30.581 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: 9, replica: 6 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -717.082009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.082009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.082009 (E_RNA) where: Base-Base interactions energy: -446.915 where: short stacking energy: -226.542 Base-Backbone interact. energy: 2.822 local terms energy: -272.989820 where: bonds (distance) C4'-P energy: -41.418 bonds (distance) P-C4' energy: -60.881 flat angles C4'-P-C4' energy: -71.410 flat angles P-C4'-P energy: -45.418 tors. eta vs tors. theta energy: -53.863 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: 10, replica: 4 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -363.346710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.346710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.346710 (E_RNA) where: Base-Base interactions energy: -134.356 where: short stacking energy: -87.582 Base-Backbone interact. energy: 0.251 local terms energy: -229.241038 where: bonds (distance) C4'-P energy: -59.654 bonds (distance) P-C4' energy: -81.379 flat angles C4'-P-C4' energy: -65.798 flat angles P-C4'-P energy: -31.671 tors. eta vs tors. theta energy: 9.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1337.287008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.287008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.287008 (E_RNA) where: Base-Base interactions energy: -932.307 where: short stacking energy: -395.533 Base-Backbone interact. energy: -2.776 local terms energy: -402.204751 where: bonds (distance) C4'-P energy: -75.378 bonds (distance) P-C4' energy: -71.328 flat angles C4'-P-C4' energy: -91.117 flat angles P-C4'-P energy: -51.697 tors. eta vs tors. theta energy: -112.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1279.748477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.748477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.748477 (E_RNA) where: Base-Base interactions energy: -901.399 where: short stacking energy: -386.339 Base-Backbone interact. energy: -1.705 local terms energy: -376.644177 where: bonds (distance) C4'-P energy: -71.926 bonds (distance) P-C4' energy: -72.365 flat angles C4'-P-C4' energy: -88.216 flat angles P-C4'-P energy: -56.597 tors. eta vs tors. theta energy: -87.539 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: 10 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1220.543847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.543847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.543847 (E_RNA) where: Base-Base interactions energy: -829.266 where: short stacking energy: -375.592 Base-Backbone interact. energy: -2.393 local terms energy: -388.885198 where: bonds (distance) C4'-P energy: -72.181 bonds (distance) P-C4' energy: -79.205 flat angles C4'-P-C4' energy: -83.079 flat angles P-C4'-P energy: -50.519 tors. eta vs tors. theta energy: -103.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1095.070881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.070881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.070881 (E_RNA) where: Base-Base interactions energy: -737.331 where: short stacking energy: -320.902 Base-Backbone interact. energy: -2.144 local terms energy: -355.596123 where: bonds (distance) C4'-P energy: -69.906 bonds (distance) P-C4' energy: -67.768 flat angles C4'-P-C4' energy: -85.702 flat angles P-C4'-P energy: -44.721 tors. eta vs tors. theta energy: -87.499 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: 3 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1031.180333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.180333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.180333 (E_RNA) where: Base-Base interactions energy: -676.692 where: short stacking energy: -284.577 Base-Backbone interact. energy: 1.657 local terms energy: -356.145122 where: bonds (distance) C4'-P energy: -72.895 bonds (distance) P-C4' energy: -72.670 flat angles C4'-P-C4' energy: -86.383 flat angles P-C4'-P energy: -49.568 tors. eta vs tors. theta energy: -74.628 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: 7 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -932.856007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.856007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.856007 (E_RNA) where: Base-Base interactions energy: -624.988 where: short stacking energy: -290.187 Base-Backbone interact. energy: -2.026 local terms energy: -305.841863 where: bonds (distance) C4'-P energy: -61.666 bonds (distance) P-C4' energy: -59.844 flat angles C4'-P-C4' energy: -78.856 flat angles P-C4'-P energy: -41.809 tors. eta vs tors. theta energy: -63.668 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: 5 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -844.017931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.017931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.017931 (E_RNA) where: Base-Base interactions energy: -507.277 where: short stacking energy: -252.942 Base-Backbone interact. energy: 0.207 local terms energy: -336.947266 where: bonds (distance) C4'-P energy: -77.156 bonds (distance) P-C4' energy: -74.615 flat angles C4'-P-C4' energy: -79.833 flat angles P-C4'-P energy: -58.613 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: 8, replica: 6 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -749.096935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.096935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.096935 (E_RNA) where: Base-Base interactions energy: -482.999 where: short stacking energy: -220.407 Base-Backbone interact. energy: 1.235 local terms energy: -267.332934 where: bonds (distance) C4'-P energy: -65.919 bonds (distance) P-C4' energy: -53.240 flat angles C4'-P-C4' energy: -69.844 flat angles P-C4'-P energy: -44.259 tors. eta vs tors. theta energy: -34.070 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: 2 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -557.334327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.334327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.334327 (E_RNA) where: Base-Base interactions energy: -353.795 where: short stacking energy: -190.857 Base-Backbone interact. energy: -2.269 local terms energy: -201.270239 where: bonds (distance) C4'-P energy: -59.757 bonds (distance) P-C4' energy: -57.713 flat angles C4'-P-C4' energy: -59.270 flat angles P-C4'-P energy: -18.096 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: 4 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -329.350355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.350355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.350355 (E_RNA) where: Base-Base interactions energy: -117.914 where: short stacking energy: -98.849 Base-Backbone interact. energy: -1.793 local terms energy: -209.643863 where: bonds (distance) C4'-P energy: -62.522 bonds (distance) P-C4' energy: -67.345 flat angles C4'-P-C4' energy: -50.627 flat angles P-C4'-P energy: -40.286 tors. eta vs tors. theta energy: 11.136 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: 9 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1351.577725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.577725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.577725 (E_RNA) where: Base-Base interactions energy: -917.737 where: short stacking energy: -384.117 Base-Backbone interact. energy: -0.891 local terms energy: -432.949606 where: bonds (distance) C4'-P energy: -79.206 bonds (distance) P-C4' energy: -81.112 flat angles C4'-P-C4' energy: -93.657 flat angles P-C4'-P energy: -66.614 tors. eta vs tors. theta energy: -112.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1292.164224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.164224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.164224 (E_RNA) where: Base-Base interactions energy: -890.440 where: short stacking energy: -353.742 Base-Backbone interact. energy: -4.317 local terms energy: -397.406636 where: bonds (distance) C4'-P energy: -70.474 bonds (distance) P-C4' energy: -78.490 flat angles C4'-P-C4' energy: -92.936 flat angles P-C4'-P energy: -56.104 tors. eta vs tors. theta energy: -99.404 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: 10 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1256.315693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.315693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.315693 (E_RNA) where: Base-Base interactions energy: -857.988 where: short stacking energy: -383.173 Base-Backbone interact. energy: -3.598 local terms energy: -394.730076 where: bonds (distance) C4'-P energy: -73.157 bonds (distance) P-C4' energy: -74.049 flat angles C4'-P-C4' energy: -79.529 flat angles P-C4'-P energy: -54.472 tors. eta vs tors. theta energy: -113.524 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: 4, replica: 1 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1103.052083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.052083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.052083 (E_RNA) where: Base-Base interactions energy: -743.397 where: short stacking energy: -321.563 Base-Backbone interact. energy: 0.857 local terms energy: -360.512254 where: bonds (distance) C4'-P energy: -61.467 bonds (distance) P-C4' energy: -74.608 flat angles C4'-P-C4' energy: -82.640 flat angles P-C4'-P energy: -55.848 tors. eta vs tors. theta energy: -85.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1059.826365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.826365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.826365 (E_RNA) where: Base-Base interactions energy: -693.324 where: short stacking energy: -320.187 Base-Backbone interact. energy: -2.992 local terms energy: -363.509857 where: bonds (distance) C4'-P energy: -72.323 bonds (distance) P-C4' energy: -78.480 flat angles C4'-P-C4' energy: -84.566 flat angles P-C4'-P energy: -49.998 tors. eta vs tors. theta energy: -78.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -969.749495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.749495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.749495 (E_RNA) where: Base-Base interactions energy: -639.394 where: short stacking energy: -314.033 Base-Backbone interact. energy: -0.831 local terms energy: -329.524323 where: bonds (distance) C4'-P energy: -61.791 bonds (distance) P-C4' energy: -60.057 flat angles C4'-P-C4' energy: -78.373 flat angles P-C4'-P energy: -51.451 tors. eta vs tors. theta energy: -77.853 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: 5 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -842.766206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.766206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.766206 (E_RNA) where: Base-Base interactions energy: -531.377 where: short stacking energy: -243.732 Base-Backbone interact. energy: -1.088 local terms energy: -310.300991 where: bonds (distance) C4'-P energy: -68.529 bonds (distance) P-C4' energy: -64.131 flat angles C4'-P-C4' energy: -79.190 flat angles P-C4'-P energy: -41.960 tors. eta vs tors. theta energy: -56.491 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: 6 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -790.284406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.284406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.284406 (E_RNA) where: Base-Base interactions energy: -500.095 where: short stacking energy: -233.265 Base-Backbone interact. energy: -2.521 local terms energy: -287.667822 where: bonds (distance) C4'-P energy: -60.752 bonds (distance) P-C4' energy: -70.211 flat angles C4'-P-C4' energy: -67.237 flat angles P-C4'-P energy: -48.107 tors. eta vs tors. theta energy: -41.360 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: 2 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -509.194990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.194990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.194990 (E_RNA) where: Base-Base interactions energy: -282.055 where: short stacking energy: -174.240 Base-Backbone interact. energy: -0.030 local terms energy: -227.109786 where: bonds (distance) C4'-P energy: -60.558 bonds (distance) P-C4' energy: -63.444 flat angles C4'-P-C4' energy: -51.096 flat angles P-C4'-P energy: -35.030 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: 10, replica: 4 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -311.750895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.750895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.750895 (E_RNA) where: Base-Base interactions energy: -99.332 where: short stacking energy: -86.231 Base-Backbone interact. energy: -2.268 local terms energy: -210.151430 where: bonds (distance) C4'-P energy: -69.123 bonds (distance) P-C4' energy: -64.705 flat angles C4'-P-C4' energy: -53.344 flat angles P-C4'-P energy: -40.141 tors. eta vs tors. theta energy: 17.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1349.699364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.699364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.699364 (E_RNA) where: Base-Base interactions energy: -919.744 where: short stacking energy: -397.598 Base-Backbone interact. energy: -1.977 local terms energy: -427.978175 where: bonds (distance) C4'-P energy: -79.933 bonds (distance) P-C4' energy: -86.405 flat angles C4'-P-C4' energy: -91.253 flat angles P-C4'-P energy: -53.542 tors. eta vs tors. theta energy: -116.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1303.012288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.012288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.012288 (E_RNA) where: Base-Base interactions energy: -905.032 where: short stacking energy: -379.836 Base-Backbone interact. energy: -1.124 local terms energy: -396.856615 where: bonds (distance) C4'-P energy: -73.097 bonds (distance) P-C4' energy: -86.082 flat angles C4'-P-C4' energy: -83.216 flat angles P-C4'-P energy: -60.207 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: 3, replica: 10 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1257.649462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.649462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.649462 (E_RNA) where: Base-Base interactions energy: -859.968 where: short stacking energy: -360.696 Base-Backbone interact. energy: -0.397 local terms energy: -397.283772 where: bonds (distance) C4'-P energy: -69.551 bonds (distance) P-C4' energy: -82.820 flat angles C4'-P-C4' energy: -84.475 flat angles P-C4'-P energy: -54.867 tors. eta vs tors. theta energy: -105.571 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: 4, replica: 1 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1157.714183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.714183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.714183 (E_RNA) where: Base-Base interactions energy: -797.997 where: short stacking energy: -348.033 Base-Backbone interact. energy: -0.481 local terms energy: -359.236851 where: bonds (distance) C4'-P energy: -64.815 bonds (distance) P-C4' energy: -70.563 flat angles C4'-P-C4' energy: -79.926 flat angles P-C4'-P energy: -56.701 tors. eta vs tors. theta energy: -87.232 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: 3 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1119.745618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.745618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.745618 (E_RNA) where: Base-Base interactions energy: -746.883 where: short stacking energy: -342.184 Base-Backbone interact. energy: -3.577 local terms energy: -369.285871 where: bonds (distance) C4'-P energy: -78.702 bonds (distance) P-C4' energy: -61.488 flat angles C4'-P-C4' energy: -81.676 flat angles P-C4'-P energy: -52.633 tors. eta vs tors. theta energy: -94.788 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: 7 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -957.006742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.006742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.006742 (E_RNA) where: Base-Base interactions energy: -624.739 where: short stacking energy: -283.045 Base-Backbone interact. energy: 0.691 local terms energy: -332.958543 where: bonds (distance) C4'-P energy: -69.366 bonds (distance) P-C4' energy: -79.166 flat angles C4'-P-C4' energy: -71.091 flat angles P-C4'-P energy: -51.739 tors. eta vs tors. theta energy: -61.596 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: 5 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -784.857991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.857991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.857991 (E_RNA) where: Base-Base interactions energy: -488.089 where: short stacking energy: -232.507 Base-Backbone interact. energy: -0.604 local terms energy: -296.165041 where: bonds (distance) C4'-P energy: -78.086 bonds (distance) P-C4' energy: -72.111 flat angles C4'-P-C4' energy: -56.866 flat angles P-C4'-P energy: -38.506 tors. eta vs tors. theta energy: -50.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -801.889643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.889643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.889643 (E_RNA) where: Base-Base interactions energy: -527.102 where: short stacking energy: -225.738 Base-Backbone interact. energy: -1.282 local terms energy: -273.504947 where: bonds (distance) C4'-P energy: -58.632 bonds (distance) P-C4' energy: -72.765 flat angles C4'-P-C4' energy: -72.732 flat angles P-C4'-P energy: -32.646 tors. eta vs tors. theta energy: -36.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -517.606066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.606066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.606066 (E_RNA) where: Base-Base interactions energy: -280.974 where: short stacking energy: -146.775 Base-Backbone interact. energy: 0.963 local terms energy: -237.595334 where: bonds (distance) C4'-P energy: -73.479 bonds (distance) P-C4' energy: -73.568 flat angles C4'-P-C4' energy: -53.261 flat angles P-C4'-P energy: -33.105 tors. eta vs tors. theta energy: -4.184 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: 10, replica: 4 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -404.899267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.899267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.899267 (E_RNA) where: Base-Base interactions energy: -186.726 where: short stacking energy: -104.336 Base-Backbone interact. energy: -1.494 local terms energy: -216.679602 where: bonds (distance) C4'-P energy: -62.153 bonds (distance) P-C4' energy: -63.340 flat angles C4'-P-C4' energy: -64.762 flat angles P-C4'-P energy: -39.014 tors. eta vs tors. theta energy: 12.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1345.680991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.680991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.680991 (E_RNA) where: Base-Base interactions energy: -929.957 where: short stacking energy: -420.595 Base-Backbone interact. energy: -1.234 local terms energy: -414.489704 where: bonds (distance) C4'-P energy: -75.089 bonds (distance) P-C4' energy: -80.133 flat angles C4'-P-C4' energy: -88.462 flat angles P-C4'-P energy: -55.512 tors. eta vs tors. theta energy: -115.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1300.419275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.419275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.419275 (E_RNA) where: Base-Base interactions energy: -891.824 where: short stacking energy: -355.964 Base-Backbone interact. energy: -6.419 local terms energy: -402.176201 where: bonds (distance) C4'-P energy: -75.950 bonds (distance) P-C4' energy: -82.709 flat angles C4'-P-C4' energy: -83.502 flat angles P-C4'-P energy: -58.753 tors. eta vs tors. theta energy: -101.262 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: 10 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1269.863448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.863448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.863448 (E_RNA) where: Base-Base interactions energy: -861.265 where: short stacking energy: -362.467 Base-Backbone interact. energy: -2.176 local terms energy: -406.421522 where: bonds (distance) C4'-P energy: -86.857 bonds (distance) P-C4' energy: -75.279 flat angles C4'-P-C4' energy: -90.666 flat angles P-C4'-P energy: -54.786 tors. eta vs tors. theta energy: -98.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1169.574327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.574327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.574327 (E_RNA) where: Base-Base interactions energy: -769.871 where: short stacking energy: -339.073 Base-Backbone interact. energy: 0.235 local terms energy: -399.938484 where: bonds (distance) C4'-P energy: -73.023 bonds (distance) P-C4' energy: -75.199 flat angles C4'-P-C4' energy: -84.918 flat angles P-C4'-P energy: -66.706 tors. eta vs tors. theta energy: -100.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1108.065457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.065457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.065457 (E_RNA) where: Base-Base interactions energy: -760.977 where: short stacking energy: -341.045 Base-Backbone interact. energy: 1.174 local terms energy: -348.262680 where: bonds (distance) C4'-P energy: -65.086 bonds (distance) P-C4' energy: -64.764 flat angles C4'-P-C4' energy: -89.072 flat angles P-C4'-P energy: -46.395 tors. eta vs tors. theta energy: -82.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -929.819567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.819567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.819567 (E_RNA) where: Base-Base interactions energy: -613.633 where: short stacking energy: -268.616 Base-Backbone interact. energy: -0.637 local terms energy: -315.549266 where: bonds (distance) C4'-P energy: -77.815 bonds (distance) P-C4' energy: -72.344 flat angles C4'-P-C4' energy: -64.574 flat angles P-C4'-P energy: -40.467 tors. eta vs tors. theta energy: -60.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -864.167159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.167159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.167159 (E_RNA) where: Base-Base interactions energy: -549.614 where: short stacking energy: -250.222 Base-Backbone interact. energy: -0.606 local terms energy: -313.947462 where: bonds (distance) C4'-P energy: -71.674 bonds (distance) P-C4' energy: -71.078 flat angles C4'-P-C4' energy: -69.410 flat angles P-C4'-P energy: -51.795 tors. eta vs tors. theta energy: -49.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -776.558205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.558205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.558205 (E_RNA) where: Base-Base interactions energy: -489.857 where: short stacking energy: -222.721 Base-Backbone interact. energy: 4.694 local terms energy: -291.395012 where: bonds (distance) C4'-P energy: -68.655 bonds (distance) P-C4' energy: -64.232 flat angles C4'-P-C4' energy: -61.969 flat angles P-C4'-P energy: -42.735 tors. eta vs tors. theta energy: -53.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -508.177334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.177334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.177334 (E_RNA) where: Base-Base interactions energy: -273.310 where: short stacking energy: -162.004 Base-Backbone interact. energy: -0.289 local terms energy: -234.578601 where: bonds (distance) C4'-P energy: -58.078 bonds (distance) P-C4' energy: -63.909 flat angles C4'-P-C4' energy: -69.575 flat angles P-C4'-P energy: -36.097 tors. eta vs tors. theta energy: -6.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -402.568045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.568045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.568045 (E_RNA) where: Base-Base interactions energy: -178.098 where: short stacking energy: -112.128 Base-Backbone interact. energy: 0.657 local terms energy: -225.127296 where: bonds (distance) C4'-P energy: -71.568 bonds (distance) P-C4' energy: -75.604 flat angles C4'-P-C4' energy: -66.310 flat angles P-C4'-P energy: -26.088 tors. eta vs tors. theta energy: 14.442 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: 9 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1346.078238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.078238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.078238 (E_RNA) where: Base-Base interactions energy: -938.491 where: short stacking energy: -384.614 Base-Backbone interact. energy: -3.284 local terms energy: -404.303734 where: bonds (distance) C4'-P energy: -64.990 bonds (distance) P-C4' energy: -82.535 flat angles C4'-P-C4' energy: -88.265 flat angles P-C4'-P energy: -55.092 tors. eta vs tors. theta energy: -113.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1300.624589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.624589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.624589 (E_RNA) where: Base-Base interactions energy: -920.414 where: short stacking energy: -378.917 Base-Backbone interact. energy: -1.356 local terms energy: -378.854618 where: bonds (distance) C4'-P energy: -63.758 bonds (distance) P-C4' energy: -77.606 flat angles C4'-P-C4' energy: -80.342 flat angles P-C4'-P energy: -56.935 tors. eta vs tors. theta energy: -100.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1291.700502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.700502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.700502 (E_RNA) where: Base-Base interactions energy: -878.057 where: short stacking energy: -371.827 Base-Backbone interact. energy: -0.678 local terms energy: -412.965696 where: bonds (distance) C4'-P energy: -81.581 bonds (distance) P-C4' energy: -79.364 flat angles C4'-P-C4' energy: -85.855 flat angles P-C4'-P energy: -57.550 tors. eta vs tors. theta energy: -108.616 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: 4, replica: 1 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1166.676574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.676574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.676574 (E_RNA) where: Base-Base interactions energy: -769.967 where: short stacking energy: -356.252 Base-Backbone interact. energy: 0.451 local terms energy: -397.161218 where: bonds (distance) C4'-P energy: -67.706 bonds (distance) P-C4' energy: -79.155 flat angles C4'-P-C4' energy: -82.025 flat angles P-C4'-P energy: -53.434 tors. eta vs tors. theta energy: -114.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1122.842833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.842833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.842833 (E_RNA) where: Base-Base interactions energy: -770.766 where: short stacking energy: -333.130 Base-Backbone interact. energy: -1.720 local terms energy: -350.356656 where: bonds (distance) C4'-P energy: -65.122 bonds (distance) P-C4' energy: -61.504 flat angles C4'-P-C4' energy: -85.622 flat angles P-C4'-P energy: -46.814 tors. eta vs tors. theta energy: -91.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -939.817092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.817092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.817092 (E_RNA) where: Base-Base interactions energy: -590.498 where: short stacking energy: -267.520 Base-Backbone interact. energy: -1.386 local terms energy: -347.933703 where: bonds (distance) C4'-P energy: -81.449 bonds (distance) P-C4' energy: -76.434 flat angles C4'-P-C4' energy: -70.001 flat angles P-C4'-P energy: -57.533 tors. eta vs tors. theta energy: -62.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -861.187055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.187055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.187055 (E_RNA) where: Base-Base interactions energy: -532.431 where: short stacking energy: -250.036 Base-Backbone interact. energy: 0.682 local terms energy: -329.438025 where: bonds (distance) C4'-P energy: -69.830 bonds (distance) P-C4' energy: -76.048 flat angles C4'-P-C4' energy: -73.014 flat angles P-C4'-P energy: -48.042 tors. eta vs tors. theta energy: -62.504 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: 5 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -740.382632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.382632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.382632 (E_RNA) where: Base-Base interactions energy: -450.159 where: short stacking energy: -211.229 Base-Backbone interact. energy: 0.694 local terms energy: -290.918374 where: bonds (distance) C4'-P energy: -64.013 bonds (distance) P-C4' energy: -79.783 flat angles C4'-P-C4' energy: -57.900 flat angles P-C4'-P energy: -39.768 tors. eta vs tors. theta energy: -49.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -530.182767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.182767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.182767 (E_RNA) where: Base-Base interactions energy: -300.624 where: short stacking energy: -164.122 Base-Backbone interact. energy: -0.876 local terms energy: -228.682671 where: bonds (distance) C4'-P energy: -61.124 bonds (distance) P-C4' energy: -64.873 flat angles C4'-P-C4' energy: -46.627 flat angles P-C4'-P energy: -40.157 tors. eta vs tors. theta energy: -15.901 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: 4 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -431.047462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.047462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.047462 (E_RNA) where: Base-Base interactions energy: -206.409 where: short stacking energy: -119.288 Base-Backbone interact. energy: 4.415 local terms energy: -229.053516 where: bonds (distance) C4'-P energy: -67.220 bonds (distance) P-C4' energy: -65.581 flat angles C4'-P-C4' energy: -62.622 flat angles P-C4'-P energy: -33.515 tors. eta vs tors. theta energy: -0.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1352.015341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.015341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.015341 (E_RNA) where: Base-Base interactions energy: -923.129 where: short stacking energy: -392.210 Base-Backbone interact. energy: -0.897 local terms energy: -427.989710 where: bonds (distance) C4'-P energy: -80.070 bonds (distance) P-C4' energy: -79.115 flat angles C4'-P-C4' energy: -96.125 flat angles P-C4'-P energy: -50.275 tors. eta vs tors. theta energy: -122.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1307.302566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.302566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.302566 (E_RNA) where: Base-Base interactions energy: -897.257 where: short stacking energy: -377.031 Base-Backbone interact. energy: -3.079 local terms energy: -406.966703 where: bonds (distance) C4'-P energy: -87.523 bonds (distance) P-C4' energy: -76.427 flat angles C4'-P-C4' energy: -82.261 flat angles P-C4'-P energy: -55.915 tors. eta vs tors. theta energy: -104.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1278.602120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.602120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.602120 (E_RNA) where: Base-Base interactions energy: -878.569 where: short stacking energy: -368.163 Base-Backbone interact. energy: -3.047 local terms energy: -396.986981 where: bonds (distance) C4'-P energy: -67.561 bonds (distance) P-C4' energy: -72.576 flat angles C4'-P-C4' energy: -86.528 flat angles P-C4'-P energy: -54.944 tors. eta vs tors. theta energy: -115.378 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: 1 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1168.988477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.988477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.988477 (E_RNA) where: Base-Base interactions energy: -774.385 where: short stacking energy: -348.356 Base-Backbone interact. energy: -1.339 local terms energy: -393.263979 where: bonds (distance) C4'-P energy: -78.585 bonds (distance) P-C4' energy: -79.624 flat angles C4'-P-C4' energy: -82.310 flat angles P-C4'-P energy: -51.633 tors. eta vs tors. theta energy: -101.112 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: 3 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1151.211676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.211676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.211676 (E_RNA) where: Base-Base interactions energy: -767.760 where: short stacking energy: -353.800 Base-Backbone interact. energy: 0.564 local terms energy: -384.014743 where: bonds (distance) C4'-P energy: -68.339 bonds (distance) P-C4' energy: -72.513 flat angles C4'-P-C4' energy: -86.354 flat angles P-C4'-P energy: -62.085 tors. eta vs tors. theta energy: -94.724 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: 7 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -939.485735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.485735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.485735 (E_RNA) where: Base-Base interactions energy: -594.979 where: short stacking energy: -286.014 Base-Backbone interact. energy: -1.018 local terms energy: -343.489251 where: bonds (distance) C4'-P energy: -65.633 bonds (distance) P-C4' energy: -70.041 flat angles C4'-P-C4' energy: -84.340 flat angles P-C4'-P energy: -38.863 tors. eta vs tors. theta energy: -84.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -874.000810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.000810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.000810 (E_RNA) where: Base-Base interactions energy: -552.642 where: short stacking energy: -263.252 Base-Backbone interact. energy: -0.221 local terms energy: -321.137682 where: bonds (distance) C4'-P energy: -59.560 bonds (distance) P-C4' energy: -63.421 flat angles C4'-P-C4' energy: -71.293 flat angles P-C4'-P energy: -63.151 tors. eta vs tors. theta energy: -63.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -752.522343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.522343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.522343 (E_RNA) where: Base-Base interactions energy: -455.315 where: short stacking energy: -232.282 Base-Backbone interact. energy: 0.965 local terms energy: -298.172378 where: bonds (distance) C4'-P energy: -62.679 bonds (distance) P-C4' energy: -76.003 flat angles C4'-P-C4' energy: -71.290 flat angles P-C4'-P energy: -43.207 tors. eta vs tors. theta energy: -44.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -507.864445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.864445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.864445 (E_RNA) where: Base-Base interactions energy: -263.800 where: short stacking energy: -150.323 Base-Backbone interact. energy: -2.553 local terms energy: -241.512284 where: bonds (distance) C4'-P energy: -71.774 bonds (distance) P-C4' energy: -72.674 flat angles C4'-P-C4' energy: -61.555 flat angles P-C4'-P energy: -26.997 tors. eta vs tors. theta energy: -8.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -443.598890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.598890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.598890 (E_RNA) where: Base-Base interactions energy: -239.400 where: short stacking energy: -146.291 Base-Backbone interact. energy: -1.065 local terms energy: -203.134130 where: bonds (distance) C4'-P energy: -56.688 bonds (distance) P-C4' energy: -56.586 flat angles C4'-P-C4' energy: -53.056 flat angles P-C4'-P energy: -24.418 tors. eta vs tors. theta energy: -12.385 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: 9 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1352.948943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.948943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.948943 (E_RNA) where: Base-Base interactions energy: -928.154 where: short stacking energy: -400.544 Base-Backbone interact. energy: -1.321 local terms energy: -423.473436 where: bonds (distance) C4'-P energy: -79.087 bonds (distance) P-C4' energy: -82.401 flat angles C4'-P-C4' energy: -85.543 flat angles P-C4'-P energy: -61.494 tors. eta vs tors. theta energy: -114.949 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: 8 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1286.491452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.491452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.491452 (E_RNA) where: Base-Base interactions energy: -870.965 where: short stacking energy: -362.350 Base-Backbone interact. energy: -0.871 local terms energy: -414.654764 where: bonds (distance) C4'-P energy: -80.604 bonds (distance) P-C4' energy: -83.937 flat angles C4'-P-C4' energy: -86.374 flat angles P-C4'-P energy: -63.730 tors. eta vs tors. theta energy: -100.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1273.193443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.193443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.193443 (E_RNA) where: Base-Base interactions energy: -868.606 where: short stacking energy: -388.479 Base-Backbone interact. energy: -1.907 local terms energy: -402.680552 where: bonds (distance) C4'-P energy: -67.957 bonds (distance) P-C4' energy: -75.654 flat angles C4'-P-C4' energy: -94.212 flat angles P-C4'-P energy: -54.703 tors. eta vs tors. theta energy: -110.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1174.746864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.746864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.746864 (E_RNA) where: Base-Base interactions energy: -817.478 where: short stacking energy: -349.130 Base-Backbone interact. energy: 1.178 local terms energy: -358.446473 where: bonds (distance) C4'-P energy: -69.650 bonds (distance) P-C4' energy: -78.246 flat angles C4'-P-C4' energy: -73.705 flat angles P-C4'-P energy: -48.571 tors. eta vs tors. theta energy: -88.275 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: 1 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1158.641673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.641673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.641673 (E_RNA) where: Base-Base interactions energy: -791.083 where: short stacking energy: -329.132 Base-Backbone interact. energy: -2.422 local terms energy: -365.137034 where: bonds (distance) C4'-P energy: -69.638 bonds (distance) P-C4' energy: -72.040 flat angles C4'-P-C4' energy: -78.098 flat angles P-C4'-P energy: -57.529 tors. eta vs tors. theta energy: -87.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -914.458656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.458656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.458656 (E_RNA) where: Base-Base interactions energy: -573.534 where: short stacking energy: -276.414 Base-Backbone interact. energy: -0.621 local terms energy: -340.303225 where: bonds (distance) C4'-P energy: -80.980 bonds (distance) P-C4' energy: -62.496 flat angles C4'-P-C4' energy: -75.772 flat angles P-C4'-P energy: -45.519 tors. eta vs tors. theta energy: -75.536 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: 7, replica: 7 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -935.398274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.398274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.398274 (E_RNA) where: Base-Base interactions energy: -603.643 where: short stacking energy: -290.024 Base-Backbone interact. energy: -0.394 local terms energy: -331.360562 where: bonds (distance) C4'-P energy: -63.842 bonds (distance) P-C4' energy: -70.164 flat angles C4'-P-C4' energy: -75.666 flat angles P-C4'-P energy: -44.532 tors. eta vs tors. theta energy: -77.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -737.230108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.230108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.230108 (E_RNA) where: Base-Base interactions energy: -463.878 where: short stacking energy: -211.614 Base-Backbone interact. energy: -1.297 local terms energy: -272.054730 where: bonds (distance) C4'-P energy: -66.178 bonds (distance) P-C4' energy: -58.928 flat angles C4'-P-C4' energy: -63.189 flat angles P-C4'-P energy: -48.690 tors. eta vs tors. theta energy: -35.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -501.393298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.393298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.393298 (E_RNA) where: Base-Base interactions energy: -271.443 where: short stacking energy: -146.271 Base-Backbone interact. energy: -0.504 local terms energy: -229.446773 where: bonds (distance) C4'-P energy: -60.236 bonds (distance) P-C4' energy: -66.946 flat angles C4'-P-C4' energy: -63.667 flat angles P-C4'-P energy: -35.024 tors. eta vs tors. theta energy: -3.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -413.364750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.364750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.364750 (E_RNA) where: Base-Base interactions energy: -205.255 where: short stacking energy: -132.364 Base-Backbone interact. energy: -0.926 local terms energy: -207.183689 where: bonds (distance) C4'-P energy: -54.093 bonds (distance) P-C4' energy: -66.729 flat angles C4'-P-C4' energy: -53.591 flat angles P-C4'-P energy: -38.562 tors. eta vs tors. theta energy: 5.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1331.664803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.664803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.664803 (E_RNA) where: Base-Base interactions energy: -910.417 where: short stacking energy: -390.858 Base-Backbone interact. energy: -2.658 local terms energy: -418.589233 where: bonds (distance) C4'-P energy: -82.301 bonds (distance) P-C4' energy: -86.868 flat angles C4'-P-C4' energy: -91.098 flat angles P-C4'-P energy: -50.767 tors. eta vs tors. theta energy: -107.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1300.266286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.266286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.266286 (E_RNA) where: Base-Base interactions energy: -910.649 where: short stacking energy: -369.874 Base-Backbone interact. energy: -0.067 local terms energy: -389.550965 where: bonds (distance) C4'-P energy: -77.820 bonds (distance) P-C4' energy: -78.329 flat angles C4'-P-C4' energy: -82.219 flat angles P-C4'-P energy: -56.913 tors. eta vs tors. theta energy: -94.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1233.466593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.466593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.466593 (E_RNA) where: Base-Base interactions energy: -848.322 where: short stacking energy: -372.730 Base-Backbone interact. energy: 1.137 local terms energy: -386.282106 where: bonds (distance) C4'-P energy: -74.917 bonds (distance) P-C4' energy: -83.072 flat angles C4'-P-C4' energy: -83.059 flat angles P-C4'-P energy: -44.947 tors. eta vs tors. theta energy: -100.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1163.869065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.869065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.869065 (E_RNA) where: Base-Base interactions energy: -785.715 where: short stacking energy: -355.878 Base-Backbone interact. energy: -1.898 local terms energy: -376.255735 where: bonds (distance) C4'-P energy: -73.562 bonds (distance) P-C4' energy: -78.953 flat angles C4'-P-C4' energy: -82.252 flat angles P-C4'-P energy: -52.399 tors. eta vs tors. theta energy: -89.091 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: 5, replica: 1 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1118.030266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.030266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.030266 (E_RNA) where: Base-Base interactions energy: -751.470 where: short stacking energy: -320.081 Base-Backbone interact. energy: -1.736 local terms energy: -364.824210 where: bonds (distance) C4'-P energy: -75.529 bonds (distance) P-C4' energy: -80.635 flat angles C4'-P-C4' energy: -72.874 flat angles P-C4'-P energy: -49.575 tors. eta vs tors. theta energy: -86.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -894.889518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.889518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.889518 (E_RNA) where: Base-Base interactions energy: -577.278 where: short stacking energy: -295.960 Base-Backbone interact. energy: -0.932 local terms energy: -316.679665 where: bonds (distance) C4'-P energy: -54.583 bonds (distance) P-C4' energy: -73.976 flat angles C4'-P-C4' energy: -73.889 flat angles P-C4'-P energy: -43.736 tors. eta vs tors. theta energy: -70.495 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: 7 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -939.117031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.117031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.117031 (E_RNA) where: Base-Base interactions energy: -621.974 where: short stacking energy: -291.864 Base-Backbone interact. energy: -2.406 local terms energy: -314.736939 where: bonds (distance) C4'-P energy: -60.399 bonds (distance) P-C4' energy: -70.815 flat angles C4'-P-C4' energy: -65.614 flat angles P-C4'-P energy: -45.585 tors. eta vs tors. theta energy: -72.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -740.412990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.412990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.412990 (E_RNA) where: Base-Base interactions energy: -460.361 where: short stacking energy: -204.313 Base-Backbone interact. energy: -0.572 local terms energy: -279.479377 where: bonds (distance) C4'-P energy: -67.905 bonds (distance) P-C4' energy: -68.261 flat angles C4'-P-C4' energy: -62.015 flat angles P-C4'-P energy: -43.193 tors. eta vs tors. theta energy: -38.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -549.495105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.495105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.495105 (E_RNA) where: Base-Base interactions energy: -301.140 where: short stacking energy: -156.133 Base-Backbone interact. energy: 0.562 local terms energy: -248.917406 where: bonds (distance) C4'-P energy: -71.642 bonds (distance) P-C4' energy: -74.289 flat angles C4'-P-C4' energy: -63.539 flat angles P-C4'-P energy: -30.970 tors. eta vs tors. theta energy: -8.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -439.059918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.059918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.059918 (E_RNA) where: Base-Base interactions energy: -230.119 where: short stacking energy: -141.555 Base-Backbone interact. energy: -3.958 local terms energy: -204.983052 where: bonds (distance) C4'-P energy: -53.476 bonds (distance) P-C4' energy: -72.328 flat angles C4'-P-C4' energy: -57.487 flat angles P-C4'-P energy: -30.809 tors. eta vs tors. theta energy: 9.118 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: 9 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1328.969876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.969876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.969876 (E_RNA) where: Base-Base interactions energy: -919.173 where: short stacking energy: -382.644 Base-Backbone interact. energy: -2.078 local terms energy: -407.718700 where: bonds (distance) C4'-P energy: -76.578 bonds (distance) P-C4' energy: -79.635 flat angles C4'-P-C4' energy: -78.172 flat angles P-C4'-P energy: -64.323 tors. eta vs tors. theta energy: -109.010 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: 8 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1330.727804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.727804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.727804 (E_RNA) where: Base-Base interactions energy: -914.862 where: short stacking energy: -374.704 Base-Backbone interact. energy: -2.078 local terms energy: -413.787993 where: bonds (distance) C4'-P energy: -82.908 bonds (distance) P-C4' energy: -75.443 flat angles C4'-P-C4' energy: -89.245 flat angles P-C4'-P energy: -63.510 tors. eta vs tors. theta energy: -102.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1237.949066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.949066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.949066 (E_RNA) where: Base-Base interactions energy: -836.616 where: short stacking energy: -354.027 Base-Backbone interact. energy: -0.677 local terms energy: -400.655770 where: bonds (distance) C4'-P energy: -62.075 bonds (distance) P-C4' energy: -82.425 flat angles C4'-P-C4' energy: -85.964 flat angles P-C4'-P energy: -64.574 tors. eta vs tors. theta energy: -105.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1188.524151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.524151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.524151 (E_RNA) where: Base-Base interactions energy: -808.319 where: short stacking energy: -330.788 Base-Backbone interact. energy: -3.352 local terms energy: -376.852446 where: bonds (distance) C4'-P energy: -72.689 bonds (distance) P-C4' energy: -72.407 flat angles C4'-P-C4' energy: -79.872 flat angles P-C4'-P energy: -54.446 tors. eta vs tors. theta energy: -97.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1089.849232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.849232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.849232 (E_RNA) where: Base-Base interactions energy: -715.708 where: short stacking energy: -344.247 Base-Backbone interact. energy: -0.477 local terms energy: -373.663950 where: bonds (distance) C4'-P energy: -69.190 bonds (distance) P-C4' energy: -80.857 flat angles C4'-P-C4' energy: -80.679 flat angles P-C4'-P energy: -52.375 tors. eta vs tors. theta energy: -90.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -973.927685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.927685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.927685 (E_RNA) where: Base-Base interactions energy: -656.053 where: short stacking energy: -304.735 Base-Backbone interact. energy: -2.458 local terms energy: -315.415835 where: bonds (distance) C4'-P energy: -53.920 bonds (distance) P-C4' energy: -58.658 flat angles C4'-P-C4' energy: -77.591 flat angles P-C4'-P energy: -45.772 tors. eta vs tors. theta energy: -79.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -920.325418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.325418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.325418 (E_RNA) where: Base-Base interactions energy: -583.592 where: short stacking energy: -255.930 Base-Backbone interact. energy: -0.385 local terms energy: -336.348287 where: bonds (distance) C4'-P energy: -69.723 bonds (distance) P-C4' energy: -74.341 flat angles C4'-P-C4' energy: -83.586 flat angles P-C4'-P energy: -52.145 tors. eta vs tors. theta energy: -56.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -696.646836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.646836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.646836 (E_RNA) where: Base-Base interactions energy: -441.094 where: short stacking energy: -195.725 Base-Backbone interact. energy: 1.211 local terms energy: -256.763649 where: bonds (distance) C4'-P energy: -67.621 bonds (distance) P-C4' energy: -68.126 flat angles C4'-P-C4' energy: -43.141 flat angles P-C4'-P energy: -43.094 tors. eta vs tors. theta energy: -34.782 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: 9, replica: 2 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -579.720704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.720704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.720704 (E_RNA) where: Base-Base interactions energy: -329.146 where: short stacking energy: -158.116 Base-Backbone interact. energy: -0.160 local terms energy: -250.414279 where: bonds (distance) C4'-P energy: -66.172 bonds (distance) P-C4' energy: -72.676 flat angles C4'-P-C4' energy: -62.568 flat angles P-C4'-P energy: -29.997 tors. eta vs tors. theta energy: -19.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -430.580652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.580652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.580652 (E_RNA) where: Base-Base interactions energy: -223.271 where: short stacking energy: -140.189 Base-Backbone interact. energy: 0.774 local terms energy: -208.083768 where: bonds (distance) C4'-P energy: -45.651 bonds (distance) P-C4' energy: -62.464 flat angles C4'-P-C4' energy: -65.319 flat angles P-C4'-P energy: -33.593 tors. eta vs tors. theta energy: -1.057 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: 8 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1341.894827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.894827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.894827 (E_RNA) where: Base-Base interactions energy: -914.237 where: short stacking energy: -380.872 Base-Backbone interact. energy: -1.353 local terms energy: -426.304419 where: bonds (distance) C4'-P energy: -76.201 bonds (distance) P-C4' energy: -87.922 flat angles C4'-P-C4' energy: -92.687 flat angles P-C4'-P energy: -61.792 tors. eta vs tors. theta energy: -107.702 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: 9 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1321.971913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.971913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.971913 (E_RNA) where: Base-Base interactions energy: -897.652 where: short stacking energy: -392.226 Base-Backbone interact. energy: -1.741 local terms energy: -422.579012 where: bonds (distance) C4'-P energy: -76.932 bonds (distance) P-C4' energy: -82.727 flat angles C4'-P-C4' energy: -93.037 flat angles P-C4'-P energy: -52.603 tors. eta vs tors. theta energy: -117.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1242.352978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.352978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.352978 (E_RNA) where: Base-Base interactions energy: -844.486 where: short stacking energy: -357.899 Base-Backbone interact. energy: -2.995 local terms energy: -394.872600 where: bonds (distance) C4'-P energy: -74.107 bonds (distance) P-C4' energy: -80.668 flat angles C4'-P-C4' energy: -85.770 flat angles P-C4'-P energy: -52.723 tors. eta vs tors. theta energy: -101.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1191.432897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.432897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.432897 (E_RNA) where: Base-Base interactions energy: -802.358 where: short stacking energy: -335.943 Base-Backbone interact. energy: -3.350 local terms energy: -385.725293 where: bonds (distance) C4'-P energy: -71.135 bonds (distance) P-C4' energy: -88.790 flat angles C4'-P-C4' energy: -88.387 flat angles P-C4'-P energy: -49.025 tors. eta vs tors. theta energy: -88.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1088.153403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.153403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.153403 (E_RNA) where: Base-Base interactions energy: -739.553 where: short stacking energy: -357.017 Base-Backbone interact. energy: -0.784 local terms energy: -347.816217 where: bonds (distance) C4'-P energy: -64.451 bonds (distance) P-C4' energy: -54.602 flat angles C4'-P-C4' energy: -85.289 flat angles P-C4'-P energy: -46.747 tors. eta vs tors. theta energy: -96.726 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: 7 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1000.487119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.487119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.487119 (E_RNA) where: Base-Base interactions energy: -655.386 where: short stacking energy: -286.465 Base-Backbone interact. energy: -2.800 local terms energy: -342.300598 where: bonds (distance) C4'-P energy: -64.557 bonds (distance) P-C4' energy: -78.704 flat angles C4'-P-C4' energy: -79.526 flat angles P-C4'-P energy: -45.234 tors. eta vs tors. theta energy: -74.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -939.055129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.055129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.055129 (E_RNA) where: Base-Base interactions energy: -612.789 where: short stacking energy: -290.592 Base-Backbone interact. energy: -3.130 local terms energy: -323.135457 where: bonds (distance) C4'-P energy: -60.654 bonds (distance) P-C4' energy: -72.259 flat angles C4'-P-C4' energy: -69.919 flat angles P-C4'-P energy: -48.332 tors. eta vs tors. theta energy: -71.971 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: 5 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -662.077898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.077898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.077898 (E_RNA) where: Base-Base interactions energy: -414.319 where: short stacking energy: -192.944 Base-Backbone interact. energy: 0.933 local terms energy: -248.691573 where: bonds (distance) C4'-P energy: -64.153 bonds (distance) P-C4' energy: -53.786 flat angles C4'-P-C4' energy: -61.187 flat angles P-C4'-P energy: -44.412 tors. eta vs tors. theta energy: -25.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -653.157875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.157875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.157875 (E_RNA) where: Base-Base interactions energy: -386.525 where: short stacking energy: -185.505 Base-Backbone interact. energy: 1.348 local terms energy: -267.980318 where: bonds (distance) C4'-P energy: -63.689 bonds (distance) P-C4' energy: -76.408 flat angles C4'-P-C4' energy: -60.762 flat angles P-C4'-P energy: -29.371 tors. eta vs tors. theta energy: -37.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -426.802871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.802871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.802871 (E_RNA) where: Base-Base interactions energy: -216.131 where: short stacking energy: -124.477 Base-Backbone interact. energy: 0.380 local terms energy: -211.052068 where: bonds (distance) C4'-P energy: -65.666 bonds (distance) P-C4' energy: -60.721 flat angles C4'-P-C4' energy: -54.317 flat angles P-C4'-P energy: -38.854 tors. eta vs tors. theta energy: 8.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1327.256232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.256232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.256232 (E_RNA) where: Base-Base interactions energy: -919.975 where: short stacking energy: -397.621 Base-Backbone interact. energy: -1.115 local terms energy: -406.165810 where: bonds (distance) C4'-P energy: -77.901 bonds (distance) P-C4' energy: -74.331 flat angles C4'-P-C4' energy: -84.145 flat angles P-C4'-P energy: -60.637 tors. eta vs tors. theta energy: -109.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1304.135926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.135926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.135926 (E_RNA) where: Base-Base interactions energy: -899.651 where: short stacking energy: -376.809 Base-Backbone interact. energy: -4.038 local terms energy: -400.447102 where: bonds (distance) C4'-P energy: -84.392 bonds (distance) P-C4' energy: -78.297 flat angles C4'-P-C4' energy: -76.578 flat angles P-C4'-P energy: -47.924 tors. eta vs tors. theta energy: -113.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1262.096732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.096732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.096732 (E_RNA) where: Base-Base interactions energy: -874.732 where: short stacking energy: -361.985 Base-Backbone interact. energy: -1.489 local terms energy: -385.875685 where: bonds (distance) C4'-P energy: -72.791 bonds (distance) P-C4' energy: -80.153 flat angles C4'-P-C4' energy: -80.622 flat angles P-C4'-P energy: -47.635 tors. eta vs tors. theta energy: -104.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1247.259150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.259150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.259150 (E_RNA) where: Base-Base interactions energy: -838.203 where: short stacking energy: -361.550 Base-Backbone interact. energy: -2.179 local terms energy: -406.876976 where: bonds (distance) C4'-P energy: -66.239 bonds (distance) P-C4' energy: -82.867 flat angles C4'-P-C4' energy: -88.715 flat angles P-C4'-P energy: -59.863 tors. eta vs tors. theta energy: -109.193 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: 1 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1069.105455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.105455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.105455 (E_RNA) where: Base-Base interactions energy: -709.210 where: short stacking energy: -330.373 Base-Backbone interact. energy: -5.397 local terms energy: -354.498518 where: bonds (distance) C4'-P energy: -74.056 bonds (distance) P-C4' energy: -62.504 flat angles C4'-P-C4' energy: -74.258 flat angles P-C4'-P energy: -53.406 tors. eta vs tors. theta energy: -90.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -995.777897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.777897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.777897 (E_RNA) where: Base-Base interactions energy: -659.284 where: short stacking energy: -303.390 Base-Backbone interact. energy: -2.186 local terms energy: -334.307513 where: bonds (distance) C4'-P energy: -69.137 bonds (distance) P-C4' energy: -69.192 flat angles C4'-P-C4' energy: -76.833 flat angles P-C4'-P energy: -45.002 tors. eta vs tors. theta energy: -74.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -931.996653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.996653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.996653 (E_RNA) where: Base-Base interactions energy: -604.040 where: short stacking energy: -292.556 Base-Backbone interact. energy: -0.269 local terms energy: -327.688376 where: bonds (distance) C4'-P energy: -61.024 bonds (distance) P-C4' energy: -73.453 flat angles C4'-P-C4' energy: -66.500 flat angles P-C4'-P energy: -46.670 tors. eta vs tors. theta energy: -80.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -681.759978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.759978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.759978 (E_RNA) where: Base-Base interactions energy: -388.536 where: short stacking energy: -178.895 Base-Backbone interact. energy: -1.417 local terms energy: -291.806347 where: bonds (distance) C4'-P energy: -71.567 bonds (distance) P-C4' energy: -67.032 flat angles C4'-P-C4' energy: -70.406 flat angles P-C4'-P energy: -46.761 tors. eta vs tors. theta energy: -36.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -647.903730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.903730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.903730 (E_RNA) where: Base-Base interactions energy: -381.890 where: short stacking energy: -169.418 Base-Backbone interact. energy: 1.086 local terms energy: -267.099577 where: bonds (distance) C4'-P energy: -70.557 bonds (distance) P-C4' energy: -73.628 flat angles C4'-P-C4' energy: -57.187 flat angles P-C4'-P energy: -36.637 tors. eta vs tors. theta energy: -29.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -397.667657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.667657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.667657 (E_RNA) where: Base-Base interactions energy: -195.649 where: short stacking energy: -101.019 Base-Backbone interact. energy: -1.037 local terms energy: -200.981398 where: bonds (distance) C4'-P energy: -64.249 bonds (distance) P-C4' energy: -69.354 flat angles C4'-P-C4' energy: -49.312 flat angles P-C4'-P energy: -31.268 tors. eta vs tors. theta energy: 13.202 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: 8 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1332.784984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.784984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.784984 (E_RNA) where: Base-Base interactions energy: -917.551 where: short stacking energy: -401.756 Base-Backbone interact. energy: -4.335 local terms energy: -410.898935 where: bonds (distance) C4'-P energy: -70.895 bonds (distance) P-C4' energy: -72.531 flat angles C4'-P-C4' energy: -88.088 flat angles P-C4'-P energy: -60.700 tors. eta vs tors. theta energy: -118.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1299.278622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.278622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.278622 (E_RNA) where: Base-Base interactions energy: -893.370 where: short stacking energy: -378.777 Base-Backbone interact. energy: -2.262 local terms energy: -403.647453 where: bonds (distance) C4'-P energy: -77.825 bonds (distance) P-C4' energy: -74.817 flat angles C4'-P-C4' energy: -84.316 flat angles P-C4'-P energy: -55.914 tors. eta vs tors. theta energy: -110.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1282.552932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.552932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.552932 (E_RNA) where: Base-Base interactions energy: -875.042 where: short stacking energy: -397.901 Base-Backbone interact. energy: -1.833 local terms energy: -405.677324 where: bonds (distance) C4'-P energy: -70.587 bonds (distance) P-C4' energy: -71.405 flat angles C4'-P-C4' energy: -95.290 flat angles P-C4'-P energy: -48.354 tors. eta vs tors. theta energy: -120.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1219.518504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.518504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.518504 (E_RNA) where: Base-Base interactions energy: -836.962 where: short stacking energy: -343.800 Base-Backbone interact. energy: -1.194 local terms energy: -381.362464 where: bonds (distance) C4'-P energy: -61.043 bonds (distance) P-C4' energy: -69.127 flat angles C4'-P-C4' energy: -87.837 flat angles P-C4'-P energy: -65.626 tors. eta vs tors. theta energy: -97.730 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: 1 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1075.936605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.936605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.936605 (E_RNA) where: Base-Base interactions energy: -708.649 where: short stacking energy: -327.689 Base-Backbone interact. energy: -0.402 local terms energy: -366.885255 where: bonds (distance) C4'-P energy: -70.581 bonds (distance) P-C4' energy: -72.673 flat angles C4'-P-C4' energy: -80.878 flat angles P-C4'-P energy: -51.406 tors. eta vs tors. theta energy: -91.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -944.615231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.615231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.615231 (E_RNA) where: Base-Base interactions energy: -619.163 where: short stacking energy: -262.829 Base-Backbone interact. energy: -2.340 local terms energy: -323.112052 where: bonds (distance) C4'-P energy: -74.228 bonds (distance) P-C4' energy: -79.183 flat angles C4'-P-C4' energy: -68.749 flat angles P-C4'-P energy: -43.767 tors. eta vs tors. theta energy: -57.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -920.840791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.840791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.840791 (E_RNA) where: Base-Base interactions energy: -615.596 where: short stacking energy: -293.352 Base-Backbone interact. energy: -0.379 local terms energy: -304.865778 where: bonds (distance) C4'-P energy: -45.538 bonds (distance) P-C4' energy: -68.134 flat angles C4'-P-C4' energy: -81.281 flat angles P-C4'-P energy: -36.231 tors. eta vs tors. theta energy: -73.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -648.315716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.315716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.315716 (E_RNA) where: Base-Base interactions energy: -404.620 where: short stacking energy: -191.733 Base-Backbone interact. energy: -1.426 local terms energy: -242.270523 where: bonds (distance) C4'-P energy: -66.202 bonds (distance) P-C4' energy: -58.321 flat angles C4'-P-C4' energy: -58.025 flat angles P-C4'-P energy: -28.456 tors. eta vs tors. theta energy: -31.268 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: 9, replica: 5 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -652.357306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.357306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.357306 (E_RNA) where: Base-Base interactions energy: -390.463 where: short stacking energy: -186.613 Base-Backbone interact. energy: 2.380 local terms energy: -264.273780 where: bonds (distance) C4'-P energy: -60.784 bonds (distance) P-C4' energy: -74.080 flat angles C4'-P-C4' energy: -71.346 flat angles P-C4'-P energy: -37.518 tors. eta vs tors. theta energy: -20.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -459.446546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.446546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.446546 (E_RNA) where: Base-Base interactions energy: -245.012 where: short stacking energy: -133.006 Base-Backbone interact. energy: 1.337 local terms energy: -215.771965 where: bonds (distance) C4'-P energy: -72.164 bonds (distance) P-C4' energy: -49.395 flat angles C4'-P-C4' energy: -62.160 flat angles P-C4'-P energy: -25.581 tors. eta vs tors. theta energy: -6.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1364.756153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.756153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.756153 (E_RNA) where: Base-Base interactions energy: -951.484 where: short stacking energy: -405.124 Base-Backbone interact. energy: -4.780 local terms energy: -408.492365 where: bonds (distance) C4'-P energy: -77.767 bonds (distance) P-C4' energy: -85.875 flat angles C4'-P-C4' energy: -78.367 flat angles P-C4'-P energy: -56.789 tors. eta vs tors. theta energy: -109.695 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: 85 Temperature: 0.950000 Total energy: -1346.592569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.592569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.592569 (E_RNA) where: Base-Base interactions energy: -942.904 where: short stacking energy: -380.210 Base-Backbone interact. energy: -1.599 local terms energy: -402.090408 where: bonds (distance) C4'-P energy: -78.390 bonds (distance) P-C4' energy: -75.221 flat angles C4'-P-C4' energy: -81.798 flat angles P-C4'-P energy: -59.521 tors. eta vs tors. theta energy: -107.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1267.338817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.338817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.338817 (E_RNA) where: Base-Base interactions energy: -865.421 where: short stacking energy: -365.025 Base-Backbone interact. energy: -2.892 local terms energy: -399.025112 where: bonds (distance) C4'-P energy: -70.114 bonds (distance) P-C4' energy: -73.544 flat angles C4'-P-C4' energy: -88.584 flat angles P-C4'-P energy: -54.542 tors. eta vs tors. theta energy: -112.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1208.021058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.021058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.021058 (E_RNA) where: Base-Base interactions energy: -830.545 where: short stacking energy: -345.116 Base-Backbone interact. energy: -1.523 local terms energy: -375.953781 where: bonds (distance) C4'-P energy: -72.720 bonds (distance) P-C4' energy: -80.777 flat angles C4'-P-C4' energy: -76.743 flat angles P-C4'-P energy: -60.031 tors. eta vs tors. theta energy: -85.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1068.602392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.602392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.602392 (E_RNA) where: Base-Base interactions energy: -714.435 where: short stacking energy: -339.546 Base-Backbone interact. energy: 2.480 local terms energy: -356.648154 where: bonds (distance) C4'-P energy: -64.649 bonds (distance) P-C4' energy: -75.539 flat angles C4'-P-C4' energy: -69.486 flat angles P-C4'-P energy: -57.234 tors. eta vs tors. theta energy: -89.741 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: 85 Temperature: 1.150000 Total energy: -932.382898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.382898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.382898 (E_RNA) where: Base-Base interactions energy: -614.197 where: short stacking energy: -291.773 Base-Backbone interact. energy: -1.697 local terms energy: -316.488762 where: bonds (distance) C4'-P energy: -81.683 bonds (distance) P-C4' energy: -57.727 flat angles C4'-P-C4' energy: -80.661 flat angles P-C4'-P energy: -38.085 tors. eta vs tors. theta energy: -58.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -948.912145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.912145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.912145 (E_RNA) where: Base-Base interactions energy: -621.135 where: short stacking energy: -284.571 Base-Backbone interact. energy: -0.661 local terms energy: -327.116359 where: bonds (distance) C4'-P energy: -63.756 bonds (distance) P-C4' energy: -63.773 flat angles C4'-P-C4' energy: -79.367 flat angles P-C4'-P energy: -45.522 tors. eta vs tors. theta energy: -74.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -707.087475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.087475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.087475 (E_RNA) where: Base-Base interactions energy: -438.028 where: short stacking energy: -214.702 Base-Backbone interact. energy: -0.245 local terms energy: -268.813980 where: bonds (distance) C4'-P energy: -72.054 bonds (distance) P-C4' energy: -66.070 flat angles C4'-P-C4' energy: -65.519 flat angles P-C4'-P energy: -37.672 tors. eta vs tors. theta energy: -27.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -649.001088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.001088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.001088 (E_RNA) where: Base-Base interactions energy: -410.502 where: short stacking energy: -201.425 Base-Backbone interact. energy: 0.544 local terms energy: -239.043436 where: bonds (distance) C4'-P energy: -67.164 bonds (distance) P-C4' energy: -49.811 flat angles C4'-P-C4' energy: -34.770 flat angles P-C4'-P energy: -49.068 tors. eta vs tors. theta energy: -38.231 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: 4 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -433.602767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.602767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.602767 (E_RNA) where: Base-Base interactions energy: -202.651 where: short stacking energy: -135.808 Base-Backbone interact. energy: 2.433 local terms energy: -233.385273 where: bonds (distance) C4'-P energy: -68.876 bonds (distance) P-C4' energy: -71.158 flat angles C4'-P-C4' energy: -64.705 flat angles P-C4'-P energy: -26.903 tors. eta vs tors. theta energy: -1.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1346.779240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.779240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.779240 (E_RNA) where: Base-Base interactions energy: -925.436 where: short stacking energy: -384.211 Base-Backbone interact. energy: -4.383 local terms energy: -416.959839 where: bonds (distance) C4'-P energy: -75.303 bonds (distance) P-C4' energy: -80.367 flat angles C4'-P-C4' energy: -88.769 flat angles P-C4'-P energy: -55.543 tors. eta vs tors. theta energy: -116.978 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: 10 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1349.108650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.108650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.108650 (E_RNA) where: Base-Base interactions energy: -951.187 where: short stacking energy: -406.303 Base-Backbone interact. energy: -0.938 local terms energy: -396.983787 where: bonds (distance) C4'-P energy: -68.678 bonds (distance) P-C4' energy: -81.131 flat angles C4'-P-C4' energy: -79.478 flat angles P-C4'-P energy: -56.382 tors. eta vs tors. theta energy: -111.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1267.762136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.762136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.762136 (E_RNA) where: Base-Base interactions energy: -870.231 where: short stacking energy: -365.073 Base-Backbone interact. energy: 0.942 local terms energy: -398.472843 where: bonds (distance) C4'-P energy: -65.964 bonds (distance) P-C4' energy: -85.322 flat angles C4'-P-C4' energy: -88.253 flat angles P-C4'-P energy: -53.345 tors. eta vs tors. theta energy: -105.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1206.452718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.452718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.452718 (E_RNA) where: Base-Base interactions energy: -831.272 where: short stacking energy: -357.290 Base-Backbone interact. energy: -1.280 local terms energy: -373.901179 where: bonds (distance) C4'-P energy: -61.365 bonds (distance) P-C4' energy: -82.008 flat angles C4'-P-C4' energy: -93.979 flat angles P-C4'-P energy: -45.313 tors. eta vs tors. theta energy: -91.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1100.261988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.261988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.261988 (E_RNA) where: Base-Base interactions energy: -712.571 where: short stacking energy: -339.727 Base-Backbone interact. energy: -1.047 local terms energy: -386.643186 where: bonds (distance) C4'-P energy: -83.187 bonds (distance) P-C4' energy: -80.348 flat angles C4'-P-C4' energy: -81.551 flat angles P-C4'-P energy: -45.507 tors. eta vs tors. theta energy: -96.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -961.880756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.880756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.880756 (E_RNA) where: Base-Base interactions energy: -616.971 where: short stacking energy: -291.839 Base-Backbone interact. energy: -0.738 local terms energy: -344.171468 where: bonds (distance) C4'-P energy: -67.990 bonds (distance) P-C4' energy: -80.334 flat angles C4'-P-C4' energy: -77.824 flat angles P-C4'-P energy: -45.065 tors. eta vs tors. theta energy: -72.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -980.583573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.583573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.583573 (E_RNA) where: Base-Base interactions energy: -657.313 where: short stacking energy: -281.625 Base-Backbone interact. energy: 2.469 local terms energy: -325.739385 where: bonds (distance) C4'-P energy: -62.081 bonds (distance) P-C4' energy: -71.248 flat angles C4'-P-C4' energy: -78.916 flat angles P-C4'-P energy: -49.137 tors. eta vs tors. theta energy: -64.358 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: 2 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -667.363905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.363905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.363905 (E_RNA) where: Base-Base interactions energy: -377.997 where: short stacking energy: -191.255 Base-Backbone interact. energy: -2.237 local terms energy: -287.129871 where: bonds (distance) C4'-P energy: -75.894 bonds (distance) P-C4' energy: -75.557 flat angles C4'-P-C4' energy: -62.897 flat angles P-C4'-P energy: -42.706 tors. eta vs tors. theta energy: -30.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -669.648439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.648439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.648439 (E_RNA) where: Base-Base interactions energy: -432.317 where: short stacking energy: -230.393 Base-Backbone interact. energy: 1.202 local terms energy: -238.533525 where: bonds (distance) C4'-P energy: -47.477 bonds (distance) P-C4' energy: -69.279 flat angles C4'-P-C4' energy: -53.646 flat angles P-C4'-P energy: -34.156 tors. eta vs tors. theta energy: -33.975 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: 4 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -422.945453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.945453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.945453 (E_RNA) where: Base-Base interactions energy: -193.010 where: short stacking energy: -115.944 Base-Backbone interact. energy: -1.687 local terms energy: -228.248487 where: bonds (distance) C4'-P energy: -63.541 bonds (distance) P-C4' energy: -76.128 flat angles C4'-P-C4' energy: -55.351 flat angles P-C4'-P energy: -31.857 tors. eta vs tors. theta energy: -1.372 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: 8 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1354.533013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.533013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.533013 (E_RNA) where: Base-Base interactions energy: -945.265 where: short stacking energy: -377.463 Base-Backbone interact. energy: -2.754 local terms energy: -406.513710 where: bonds (distance) C4'-P energy: -70.259 bonds (distance) P-C4' energy: -79.422 flat angles C4'-P-C4' energy: -86.656 flat angles P-C4'-P energy: -60.092 tors. eta vs tors. theta energy: -110.085 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: 87 Temperature: 0.950000 Total energy: -1306.092911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.092911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.092911 (E_RNA) where: Base-Base interactions energy: -907.615 where: short stacking energy: -382.572 Base-Backbone interact. energy: -0.847 local terms energy: -397.631641 where: bonds (distance) C4'-P energy: -76.471 bonds (distance) P-C4' energy: -78.309 flat angles C4'-P-C4' energy: -93.273 flat angles P-C4'-P energy: -44.635 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: 3, replica: 9 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1286.143672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.143672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.143672 (E_RNA) where: Base-Base interactions energy: -869.886 where: short stacking energy: -377.309 Base-Backbone interact. energy: 0.916 local terms energy: -417.173790 where: bonds (distance) C4'-P energy: -81.241 bonds (distance) P-C4' energy: -84.631 flat angles C4'-P-C4' energy: -84.139 flat angles P-C4'-P energy: -62.500 tors. eta vs tors. theta energy: -104.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1192.512662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.512662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.512662 (E_RNA) where: Base-Base interactions energy: -835.668 where: short stacking energy: -340.915 Base-Backbone interact. energy: -1.092 local terms energy: -355.752807 where: bonds (distance) C4'-P energy: -73.456 bonds (distance) P-C4' energy: -69.224 flat angles C4'-P-C4' energy: -72.348 flat angles P-C4'-P energy: -51.730 tors. eta vs tors. theta energy: -88.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1131.909214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.909214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.909214 (E_RNA) where: Base-Base interactions energy: -751.004 where: short stacking energy: -334.792 Base-Backbone interact. energy: -0.830 local terms energy: -380.075490 where: bonds (distance) C4'-P energy: -81.949 bonds (distance) P-C4' energy: -77.290 flat angles C4'-P-C4' energy: -81.323 flat angles P-C4'-P energy: -47.049 tors. eta vs tors. theta energy: -92.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -974.753059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.753059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.753059 (E_RNA) where: Base-Base interactions energy: -654.113 where: short stacking energy: -282.704 Base-Backbone interact. energy: -2.280 local terms energy: -318.359917 where: bonds (distance) C4'-P energy: -71.995 bonds (distance) P-C4' energy: -72.496 flat angles C4'-P-C4' energy: -70.610 flat angles P-C4'-P energy: -41.987 tors. eta vs tors. theta energy: -61.272 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: 6 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1022.404923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.404923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.404923 (E_RNA) where: Base-Base interactions energy: -688.376 where: short stacking energy: -307.690 Base-Backbone interact. energy: 0.734 local terms energy: -334.763113 where: bonds (distance) C4'-P energy: -64.462 bonds (distance) P-C4' energy: -64.868 flat angles C4'-P-C4' energy: -77.104 flat angles P-C4'-P energy: -44.458 tors. eta vs tors. theta energy: -83.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -670.047561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.047561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.047561 (E_RNA) where: Base-Base interactions energy: -388.362 where: short stacking energy: -189.706 Base-Backbone interact. energy: 1.061 local terms energy: -282.746030 where: bonds (distance) C4'-P energy: -62.995 bonds (distance) P-C4' energy: -83.057 flat angles C4'-P-C4' energy: -61.801 flat angles P-C4'-P energy: -38.536 tors. eta vs tors. theta energy: -36.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -607.450340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.450340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.450340 (E_RNA) where: Base-Base interactions energy: -370.967 where: short stacking energy: -167.138 Base-Backbone interact. energy: -0.788 local terms energy: -235.695458 where: bonds (distance) C4'-P energy: -75.300 bonds (distance) P-C4' energy: -60.543 flat angles C4'-P-C4' energy: -63.272 flat angles P-C4'-P energy: -32.264 tors. eta vs tors. theta energy: -4.316 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: 4 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -427.104161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.104161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.104161 (E_RNA) where: Base-Base interactions energy: -206.648 where: short stacking energy: -125.462 Base-Backbone interact. energy: -0.495 local terms energy: -219.960930 where: bonds (distance) C4'-P energy: -48.508 bonds (distance) P-C4' energy: -70.021 flat angles C4'-P-C4' energy: -65.269 flat angles P-C4'-P energy: -31.930 tors. eta vs tors. theta energy: -4.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1335.728393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.728393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.728393 (E_RNA) where: Base-Base interactions energy: -938.948 where: short stacking energy: -394.472 Base-Backbone interact. energy: 2.211 local terms energy: -398.991669 where: bonds (distance) C4'-P energy: -82.737 bonds (distance) P-C4' energy: -73.823 flat angles C4'-P-C4' energy: -80.109 flat angles P-C4'-P energy: -57.714 tors. eta vs tors. theta energy: -104.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1322.948364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.948364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.948364 (E_RNA) where: Base-Base interactions energy: -939.247 where: short stacking energy: -367.777 Base-Backbone interact. energy: -3.253 local terms energy: -380.448116 where: bonds (distance) C4'-P energy: -67.793 bonds (distance) P-C4' energy: -76.352 flat angles C4'-P-C4' energy: -75.859 flat angles P-C4'-P energy: -59.879 tors. eta vs tors. theta energy: -100.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1272.761378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.761378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.761378 (E_RNA) where: Base-Base interactions energy: -878.847 where: short stacking energy: -374.759 Base-Backbone interact. energy: 1.092 local terms energy: -395.005900 where: bonds (distance) C4'-P energy: -75.609 bonds (distance) P-C4' energy: -79.708 flat angles C4'-P-C4' energy: -79.177 flat angles P-C4'-P energy: -53.265 tors. eta vs tors. theta energy: -107.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1177.268695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.268695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.268695 (E_RNA) where: Base-Base interactions energy: -811.732 where: short stacking energy: -356.698 Base-Backbone interact. energy: -2.740 local terms energy: -362.796155 where: bonds (distance) C4'-P energy: -65.342 bonds (distance) P-C4' energy: -65.845 flat angles C4'-P-C4' energy: -84.615 flat angles P-C4'-P energy: -58.357 tors. eta vs tors. theta energy: -88.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1122.426494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.426494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.426494 (E_RNA) where: Base-Base interactions energy: -740.007 where: short stacking energy: -327.548 Base-Backbone interact. energy: -2.774 local terms energy: -379.645068 where: bonds (distance) C4'-P energy: -73.858 bonds (distance) P-C4' energy: -70.756 flat angles C4'-P-C4' energy: -90.966 flat angles P-C4'-P energy: -53.225 tors. eta vs tors. theta energy: -90.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -915.897106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.897106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.897106 (E_RNA) where: Base-Base interactions energy: -596.515 where: short stacking energy: -268.919 Base-Backbone interact. energy: -0.813 local terms energy: -318.569614 where: bonds (distance) C4'-P energy: -60.422 bonds (distance) P-C4' energy: -64.205 flat angles C4'-P-C4' energy: -69.666 flat angles P-C4'-P energy: -53.390 tors. eta vs tors. theta energy: -70.887 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: 6 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -994.239942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.239942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.239942 (E_RNA) where: Base-Base interactions energy: -668.388 where: short stacking energy: -309.194 Base-Backbone interact. energy: -0.657 local terms energy: -325.194885 where: bonds (distance) C4'-P energy: -64.806 bonds (distance) P-C4' energy: -56.591 flat angles C4'-P-C4' energy: -83.290 flat angles P-C4'-P energy: -44.591 tors. eta vs tors. theta energy: -75.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -727.336204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.336204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.336204 (E_RNA) where: Base-Base interactions energy: -452.762 where: short stacking energy: -200.271 Base-Backbone interact. energy: 0.494 local terms energy: -275.067558 where: bonds (distance) C4'-P energy: -73.777 bonds (distance) P-C4' energy: -66.560 flat angles C4'-P-C4' energy: -71.811 flat angles P-C4'-P energy: -32.702 tors. eta vs tors. theta energy: -30.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -464.801555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.801555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.801555 (E_RNA) where: Base-Base interactions energy: -245.224 where: short stacking energy: -136.972 Base-Backbone interact. energy: 2.705 local terms energy: -222.282520 where: bonds (distance) C4'-P energy: -69.983 bonds (distance) P-C4' energy: -62.147 flat angles C4'-P-C4' energy: -44.885 flat angles P-C4'-P energy: -32.968 tors. eta vs tors. theta energy: -12.299 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: 2 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -562.739185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.739185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.739185 (E_RNA) where: Base-Base interactions energy: -340.308 where: short stacking energy: -178.944 Base-Backbone interact. energy: 0.432 local terms energy: -222.863818 where: bonds (distance) C4'-P energy: -54.895 bonds (distance) P-C4' energy: -62.026 flat angles C4'-P-C4' energy: -51.096 flat angles P-C4'-P energy: -44.891 tors. eta vs tors. theta energy: -9.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1348.346499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.346499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.346499 (E_RNA) where: Base-Base interactions energy: -939.481 where: short stacking energy: -402.021 Base-Backbone interact. energy: -1.534 local terms energy: -407.331465 where: bonds (distance) C4'-P energy: -73.792 bonds (distance) P-C4' energy: -80.994 flat angles C4'-P-C4' energy: -94.082 flat angles P-C4'-P energy: -47.471 tors. eta vs tors. theta energy: -110.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1291.367603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.367603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.367603 (E_RNA) where: Base-Base interactions energy: -883.228 where: short stacking energy: -383.035 Base-Backbone interact. energy: -1.686 local terms energy: -406.453589 where: bonds (distance) C4'-P energy: -77.987 bonds (distance) P-C4' energy: -72.365 flat angles C4'-P-C4' energy: -83.817 flat angles P-C4'-P energy: -63.499 tors. eta vs tors. theta energy: -108.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1256.723544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.723544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.723544 (E_RNA) where: Base-Base interactions energy: -861.435 where: short stacking energy: -357.399 Base-Backbone interact. energy: 0.068 local terms energy: -395.356716 where: bonds (distance) C4'-P energy: -73.550 bonds (distance) P-C4' energy: -73.207 flat angles C4'-P-C4' energy: -86.172 flat angles P-C4'-P energy: -62.228 tors. eta vs tors. theta energy: -100.199 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: 3 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1203.779971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.779971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.779971 (E_RNA) where: Base-Base interactions energy: -800.298 where: short stacking energy: -355.847 Base-Backbone interact. energy: -2.081 local terms energy: -401.401147 where: bonds (distance) C4'-P energy: -69.097 bonds (distance) P-C4' energy: -82.906 flat angles C4'-P-C4' energy: -88.197 flat angles P-C4'-P energy: -59.678 tors. eta vs tors. theta energy: -101.524 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: 1 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1080.503647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.503647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.503647 (E_RNA) where: Base-Base interactions energy: -725.847 where: short stacking energy: -325.342 Base-Backbone interact. energy: -1.702 local terms energy: -352.954697 where: bonds (distance) C4'-P energy: -59.297 bonds (distance) P-C4' energy: -74.433 flat angles C4'-P-C4' energy: -75.786 flat angles P-C4'-P energy: -49.943 tors. eta vs tors. theta energy: -93.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -992.304484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.304484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.304484 (E_RNA) where: Base-Base interactions energy: -670.992 where: short stacking energy: -316.681 Base-Backbone interact. energy: -1.390 local terms energy: -319.922611 where: bonds (distance) C4'-P energy: -74.771 bonds (distance) P-C4' energy: -56.152 flat angles C4'-P-C4' energy: -68.441 flat angles P-C4'-P energy: -38.219 tors. eta vs tors. theta energy: -82.339 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: 89 Temperature: 1.200000 Total energy: -907.874113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.874113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.874113 (E_RNA) where: Base-Base interactions energy: -579.005 where: short stacking energy: -268.801 Base-Backbone interact. energy: 0.287 local terms energy: -329.155902 where: bonds (distance) C4'-P energy: -65.140 bonds (distance) P-C4' energy: -78.941 flat angles C4'-P-C4' energy: -79.216 flat angles P-C4'-P energy: -40.425 tors. eta vs tors. theta energy: -65.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -649.664205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.664205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.664205 (E_RNA) where: Base-Base interactions energy: -407.080 where: short stacking energy: -220.127 Base-Backbone interact. energy: 1.564 local terms energy: -244.148226 where: bonds (distance) C4'-P energy: -66.218 bonds (distance) P-C4' energy: -63.627 flat angles C4'-P-C4' energy: -63.593 flat angles P-C4'-P energy: -16.329 tors. eta vs tors. theta energy: -34.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -474.614690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.614690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.614690 (E_RNA) where: Base-Base interactions energy: -244.014 where: short stacking energy: -141.138 Base-Backbone interact. energy: -0.135 local terms energy: -230.465422 where: bonds (distance) C4'-P energy: -79.491 bonds (distance) P-C4' energy: -56.691 flat angles C4'-P-C4' energy: -58.760 flat angles P-C4'-P energy: -36.027 tors. eta vs tors. theta energy: 0.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -570.733114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.733114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.733114 (E_RNA) where: Base-Base interactions energy: -357.314 where: short stacking energy: -149.318 Base-Backbone interact. energy: 0.114 local terms energy: -213.533435 where: bonds (distance) C4'-P energy: -37.869 bonds (distance) P-C4' energy: -58.392 flat angles C4'-P-C4' energy: -62.851 flat angles P-C4'-P energy: -39.767 tors. eta vs tors. theta energy: -14.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1316.494067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.494067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.494067 (E_RNA) where: Base-Base interactions energy: -905.864 where: short stacking energy: -385.293 Base-Backbone interact. energy: -5.616 local terms energy: -405.014648 where: bonds (distance) C4'-P energy: -80.195 bonds (distance) P-C4' energy: -77.663 flat angles C4'-P-C4' energy: -84.094 flat angles P-C4'-P energy: -57.271 tors. eta vs tors. theta energy: -105.791 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: 10 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1293.291757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.291757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.291757 (E_RNA) where: Base-Base interactions energy: -906.146 where: short stacking energy: -385.382 Base-Backbone interact. energy: -2.038 local terms energy: -385.107546 where: bonds (distance) C4'-P energy: -82.558 bonds (distance) P-C4' energy: -71.215 flat angles C4'-P-C4' energy: -76.073 flat angles P-C4'-P energy: -50.031 tors. eta vs tors. theta energy: -105.231 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: 3 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1249.025491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.025491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.025491 (E_RNA) where: Base-Base interactions energy: -863.704 where: short stacking energy: -359.787 Base-Backbone interact. energy: -1.571 local terms energy: -383.750750 where: bonds (distance) C4'-P energy: -71.131 bonds (distance) P-C4' energy: -75.832 flat angles C4'-P-C4' energy: -74.466 flat angles P-C4'-P energy: -60.697 tors. eta vs tors. theta energy: -101.625 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: 90 Temperature: 1.050000 Total energy: -1221.576919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.576919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.576919 (E_RNA) where: Base-Base interactions energy: -844.251 where: short stacking energy: -359.776 Base-Backbone interact. energy: -3.870 local terms energy: -373.456335 where: bonds (distance) C4'-P energy: -71.000 bonds (distance) P-C4' energy: -67.040 flat angles C4'-P-C4' energy: -86.318 flat angles P-C4'-P energy: -46.108 tors. eta vs tors. theta energy: -102.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1095.423518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.423518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.423518 (E_RNA) where: Base-Base interactions energy: -750.389 where: short stacking energy: -352.810 Base-Backbone interact. energy: -2.059 local terms energy: -342.975770 where: bonds (distance) C4'-P energy: -68.072 bonds (distance) P-C4' energy: -68.350 flat angles C4'-P-C4' energy: -69.563 flat angles P-C4'-P energy: -51.168 tors. eta vs tors. theta energy: -85.824 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: 90 Temperature: 1.150000 Total energy: -934.556479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.556479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.556479 (E_RNA) where: Base-Base interactions energy: -612.784 where: short stacking energy: -274.757 Base-Backbone interact. energy: 1.508 local terms energy: -323.280237 where: bonds (distance) C4'-P energy: -67.987 bonds (distance) P-C4' energy: -67.665 flat angles C4'-P-C4' energy: -76.244 flat angles P-C4'-P energy: -48.309 tors. eta vs tors. theta energy: -63.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -953.609780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.609780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.609780 (E_RNA) where: Base-Base interactions energy: -608.684 where: short stacking energy: -283.054 Base-Backbone interact. energy: -0.090 local terms energy: -344.836004 where: bonds (distance) C4'-P energy: -67.360 bonds (distance) P-C4' energy: -72.553 flat angles C4'-P-C4' energy: -82.977 flat angles P-C4'-P energy: -45.921 tors. eta vs tors. theta energy: -76.025 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: 5 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -710.816372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.816372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.816372 (E_RNA) where: Base-Base interactions energy: -429.673 where: short stacking energy: -207.689 Base-Backbone interact. energy: -1.579 local terms energy: -279.564279 where: bonds (distance) C4'-P energy: -66.022 bonds (distance) P-C4' energy: -75.972 flat angles C4'-P-C4' energy: -60.183 flat angles P-C4'-P energy: -40.407 tors. eta vs tors. theta energy: -36.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -603.959124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.959124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.959124 (E_RNA) where: Base-Base interactions energy: -349.249 where: short stacking energy: -168.766 Base-Backbone interact. energy: -0.056 local terms energy: -254.654134 where: bonds (distance) C4'-P energy: -58.363 bonds (distance) P-C4' energy: -71.495 flat angles C4'-P-C4' energy: -62.796 flat angles P-C4'-P energy: -43.058 tors. eta vs tors. theta energy: -18.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -464.541549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.541549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.541549 (E_RNA) where: Base-Base interactions energy: -230.584 where: short stacking energy: -142.209 Base-Backbone interact. energy: 0.556 local terms energy: -234.514127 where: bonds (distance) C4'-P energy: -66.021 bonds (distance) P-C4' energy: -67.829 flat angles C4'-P-C4' energy: -52.308 flat angles P-C4'-P energy: -48.008 tors. eta vs tors. theta energy: -0.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1338.251588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.251588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.251588 (E_RNA) where: Base-Base interactions energy: -906.816 where: short stacking energy: -377.870 Base-Backbone interact. energy: -1.927 local terms energy: -429.508609 where: bonds (distance) C4'-P energy: -84.178 bonds (distance) P-C4' energy: -79.345 flat angles C4'-P-C4' energy: -92.955 flat angles P-C4'-P energy: -57.759 tors. eta vs tors. theta energy: -115.271 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: 2, replica: 10 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1313.919821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.919821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.919821 (E_RNA) where: Base-Base interactions energy: -921.718 where: short stacking energy: -387.287 Base-Backbone interact. energy: 1.826 local terms energy: -394.027912 where: bonds (distance) C4'-P energy: -78.898 bonds (distance) P-C4' energy: -63.260 flat angles C4'-P-C4' energy: -86.578 flat angles P-C4'-P energy: -60.607 tors. eta vs tors. theta energy: -104.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1247.932781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.932781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.932781 (E_RNA) where: Base-Base interactions energy: -852.835 where: short stacking energy: -366.241 Base-Backbone interact. energy: -0.980 local terms energy: -394.117955 where: bonds (distance) C4'-P energy: -73.183 bonds (distance) P-C4' energy: -82.676 flat angles C4'-P-C4' energy: -83.476 flat angles P-C4'-P energy: -61.854 tors. eta vs tors. theta energy: -92.928 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: 9 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1156.993950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.993950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.993950 (E_RNA) where: Base-Base interactions energy: -788.771 where: short stacking energy: -354.396 Base-Backbone interact. energy: 3.900 local terms energy: -372.123347 where: bonds (distance) C4'-P energy: -68.657 bonds (distance) P-C4' energy: -79.268 flat angles C4'-P-C4' energy: -76.912 flat angles P-C4'-P energy: -54.026 tors. eta vs tors. theta energy: -93.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1095.927620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.927620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.927620 (E_RNA) where: Base-Base interactions energy: -722.744 where: short stacking energy: -344.146 Base-Backbone interact. energy: 0.327 local terms energy: -373.510831 where: bonds (distance) C4'-P energy: -76.223 bonds (distance) P-C4' energy: -82.541 flat angles C4'-P-C4' energy: -74.466 flat angles P-C4'-P energy: -43.519 tors. eta vs tors. theta energy: -96.761 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: 7 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -932.851934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.851934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.851934 (E_RNA) where: Base-Base interactions energy: -618.121 where: short stacking energy: -283.806 Base-Backbone interact. energy: -0.045 local terms energy: -314.685738 where: bonds (distance) C4'-P energy: -61.157 bonds (distance) P-C4' energy: -55.987 flat angles C4'-P-C4' energy: -80.478 flat angles P-C4'-P energy: -61.822 tors. eta vs tors. theta energy: -55.242 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: 91 Temperature: 1.200000 Total energy: -1000.054940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.054940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.054940 (E_RNA) where: Base-Base interactions energy: -672.575 where: short stacking energy: -336.532 Base-Backbone interact. energy: -0.893 local terms energy: -326.587291 where: bonds (distance) C4'-P energy: -52.675 bonds (distance) P-C4' energy: -70.586 flat angles C4'-P-C4' energy: -59.374 flat angles P-C4'-P energy: -50.550 tors. eta vs tors. theta energy: -93.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -680.297062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.297062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.297062 (E_RNA) where: Base-Base interactions energy: -420.824 where: short stacking energy: -200.558 Base-Backbone interact. energy: -1.294 local terms energy: -258.179004 where: bonds (distance) C4'-P energy: -62.897 bonds (distance) P-C4' energy: -75.540 flat angles C4'-P-C4' energy: -55.207 flat angles P-C4'-P energy: -42.563 tors. eta vs tors. theta energy: -21.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -537.560176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.560176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.560176 (E_RNA) where: Base-Base interactions energy: -298.516 where: short stacking energy: -158.161 Base-Backbone interact. energy: 3.399 local terms energy: -242.443832 where: bonds (distance) C4'-P energy: -60.171 bonds (distance) P-C4' energy: -81.049 flat angles C4'-P-C4' energy: -64.569 flat angles P-C4'-P energy: -27.979 tors. eta vs tors. theta energy: -8.676 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: 4 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -487.656160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.656160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.656160 (E_RNA) where: Base-Base interactions energy: -263.160 where: short stacking energy: -152.810 Base-Backbone interact. energy: -0.654 local terms energy: -223.842118 where: bonds (distance) C4'-P energy: -44.907 bonds (distance) P-C4' energy: -59.821 flat angles C4'-P-C4' energy: -61.307 flat angles P-C4'-P energy: -48.658 tors. eta vs tors. theta energy: -9.149 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: 10 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1347.536521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.536521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.536521 (E_RNA) where: Base-Base interactions energy: -918.073 where: short stacking energy: -394.319 Base-Backbone interact. energy: -1.816 local terms energy: -427.647326 where: bonds (distance) C4'-P energy: -74.385 bonds (distance) P-C4' energy: -83.884 flat angles C4'-P-C4' energy: -91.508 flat angles P-C4'-P energy: -67.779 tors. eta vs tors. theta energy: -110.092 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: 8 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1280.350604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.350604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.350604 (E_RNA) where: Base-Base interactions energy: -884.012 where: short stacking energy: -335.112 Base-Backbone interact. energy: -5.636 local terms energy: -390.702339 where: bonds (distance) C4'-P energy: -81.319 bonds (distance) P-C4' energy: -79.777 flat angles C4'-P-C4' energy: -78.893 flat angles P-C4'-P energy: -56.842 tors. eta vs tors. theta energy: -93.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1239.732371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.732371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.732371 (E_RNA) where: Base-Base interactions energy: -852.874 where: short stacking energy: -377.560 Base-Backbone interact. energy: 0.184 local terms energy: -387.042519 where: bonds (distance) C4'-P energy: -75.182 bonds (distance) P-C4' energy: -76.284 flat angles C4'-P-C4' energy: -77.571 flat angles P-C4'-P energy: -56.621 tors. eta vs tors. theta energy: -101.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1189.619228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.619228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.619228 (E_RNA) where: Base-Base interactions energy: -812.972 where: short stacking energy: -343.494 Base-Backbone interact. energy: -2.587 local terms energy: -374.060694 where: bonds (distance) C4'-P energy: -66.002 bonds (distance) P-C4' energy: -74.643 flat angles C4'-P-C4' energy: -76.651 flat angles P-C4'-P energy: -57.641 tors. eta vs tors. theta energy: -99.123 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: 5, replica: 1 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1087.532744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.532744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.532744 (E_RNA) where: Base-Base interactions energy: -740.243 where: short stacking energy: -317.361 Base-Backbone interact. energy: -0.292 local terms energy: -346.997668 where: bonds (distance) C4'-P energy: -70.277 bonds (distance) P-C4' energy: -62.837 flat angles C4'-P-C4' energy: -77.294 flat angles P-C4'-P energy: -51.534 tors. eta vs tors. theta energy: -85.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -925.493275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.493275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.493275 (E_RNA) where: Base-Base interactions energy: -609.736 where: short stacking energy: -287.223 Base-Backbone interact. energy: 0.647 local terms energy: -316.404596 where: bonds (distance) C4'-P energy: -67.175 bonds (distance) P-C4' energy: -69.380 flat angles C4'-P-C4' energy: -70.446 flat angles P-C4'-P energy: -49.029 tors. eta vs tors. theta energy: -60.375 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: 6 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -951.942867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.942867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.942867 (E_RNA) where: Base-Base interactions energy: -634.701 where: short stacking energy: -295.210 Base-Backbone interact. energy: 1.520 local terms energy: -318.761989 where: bonds (distance) C4'-P energy: -67.111 bonds (distance) P-C4' energy: -63.157 flat angles C4'-P-C4' energy: -61.895 flat angles P-C4'-P energy: -51.243 tors. eta vs tors. theta energy: -75.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -658.051624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.051624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.051624 (E_RNA) where: Base-Base interactions energy: -394.930 where: short stacking energy: -193.728 Base-Backbone interact. energy: 1.524 local terms energy: -264.645961 where: bonds (distance) C4'-P energy: -63.991 bonds (distance) P-C4' energy: -68.402 flat angles C4'-P-C4' energy: -63.924 flat angles P-C4'-P energy: -30.955 tors. eta vs tors. theta energy: -37.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -559.428461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.428461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.428461 (E_RNA) where: Base-Base interactions energy: -290.805 where: short stacking energy: -177.575 Base-Backbone interact. energy: -0.730 local terms energy: -267.892515 where: bonds (distance) C4'-P energy: -68.294 bonds (distance) P-C4' energy: -60.798 flat angles C4'-P-C4' energy: -63.181 flat angles P-C4'-P energy: -43.159 tors. eta vs tors. theta energy: -32.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -488.356185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.356185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.356185 (E_RNA) where: Base-Base interactions energy: -259.754 where: short stacking energy: -140.713 Base-Backbone interact. energy: 4.073 local terms energy: -232.675507 where: bonds (distance) C4'-P energy: -74.058 bonds (distance) P-C4' energy: -55.960 flat angles C4'-P-C4' energy: -63.268 flat angles P-C4'-P energy: -31.551 tors. eta vs tors. theta energy: -7.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1343.198892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.198892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.198892 (E_RNA) where: Base-Base interactions energy: -912.573 where: short stacking energy: -387.253 Base-Backbone interact. energy: -0.207 local terms energy: -430.418402 where: bonds (distance) C4'-P energy: -81.003 bonds (distance) P-C4' energy: -83.039 flat angles C4'-P-C4' energy: -93.453 flat angles P-C4'-P energy: -62.141 tors. eta vs tors. theta energy: -110.782 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: 2, replica: 8 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1332.945523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.945523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.945523 (E_RNA) where: Base-Base interactions energy: -920.080 where: short stacking energy: -376.576 Base-Backbone interact. energy: -1.128 local terms energy: -411.737394 where: bonds (distance) C4'-P energy: -73.571 bonds (distance) P-C4' energy: -77.524 flat angles C4'-P-C4' energy: -86.027 flat angles P-C4'-P energy: -57.901 tors. eta vs tors. theta energy: -116.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1230.806921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.806921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.806921 (E_RNA) where: Base-Base interactions energy: -839.947 where: short stacking energy: -363.732 Base-Backbone interact. energy: 1.928 local terms energy: -392.788403 where: bonds (distance) C4'-P energy: -78.202 bonds (distance) P-C4' energy: -74.828 flat angles C4'-P-C4' energy: -77.263 flat angles P-C4'-P energy: -59.265 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: 9 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1150.868365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.868365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.868365 (E_RNA) where: Base-Base interactions energy: -793.529 where: short stacking energy: -342.653 Base-Backbone interact. energy: 0.707 local terms energy: -358.046929 where: bonds (distance) C4'-P energy: -85.327 bonds (distance) P-C4' energy: -72.654 flat angles C4'-P-C4' energy: -76.972 flat angles P-C4'-P energy: -29.638 tors. eta vs tors. theta energy: -93.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1098.391709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.391709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.391709 (E_RNA) where: Base-Base interactions energy: -724.625 where: short stacking energy: -323.841 Base-Backbone interact. energy: -1.923 local terms energy: -371.843246 where: bonds (distance) C4'-P energy: -69.777 bonds (distance) P-C4' energy: -79.251 flat angles C4'-P-C4' energy: -80.806 flat angles P-C4'-P energy: -49.920 tors. eta vs tors. theta energy: -92.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -960.880533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.880533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.880533 (E_RNA) where: Base-Base interactions energy: -644.813 where: short stacking energy: -285.674 Base-Backbone interact. energy: -3.556 local terms energy: -312.511311 where: bonds (distance) C4'-P energy: -62.992 bonds (distance) P-C4' energy: -73.123 flat angles C4'-P-C4' energy: -80.090 flat angles P-C4'-P energy: -36.626 tors. eta vs tors. theta energy: -59.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -886.763475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.763475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.763475 (E_RNA) where: Base-Base interactions energy: -604.420 where: short stacking energy: -275.621 Base-Backbone interact. energy: -1.266 local terms energy: -281.077526 where: bonds (distance) C4'-P energy: -62.482 bonds (distance) P-C4' energy: -63.027 flat angles C4'-P-C4' energy: -61.612 flat angles P-C4'-P energy: -42.433 tors. eta vs tors. theta energy: -51.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -707.224697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.224697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.224697 (E_RNA) where: Base-Base interactions energy: -431.197 where: short stacking energy: -207.101 Base-Backbone interact. energy: 0.260 local terms energy: -276.287954 where: bonds (distance) C4'-P energy: -68.204 bonds (distance) P-C4' energy: -73.733 flat angles C4'-P-C4' energy: -67.895 flat angles P-C4'-P energy: -37.510 tors. eta vs tors. theta energy: -28.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -555.560370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.560370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.560370 (E_RNA) where: Base-Base interactions energy: -307.041 where: short stacking energy: -165.804 Base-Backbone interact. energy: -1.496 local terms energy: -247.024217 where: bonds (distance) C4'-P energy: -63.649 bonds (distance) P-C4' energy: -73.323 flat angles C4'-P-C4' energy: -76.402 flat angles P-C4'-P energy: -12.585 tors. eta vs tors. theta energy: -21.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -502.959268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.959268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.959268 (E_RNA) where: Base-Base interactions energy: -279.223 where: short stacking energy: -143.604 Base-Backbone interact. energy: -1.498 local terms energy: -222.238364 where: bonds (distance) C4'-P energy: -47.013 bonds (distance) P-C4' energy: -71.922 flat angles C4'-P-C4' energy: -56.538 flat angles P-C4'-P energy: -35.280 tors. eta vs tors. theta energy: -11.484 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: 10 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1382.163042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.163042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.163042 (E_RNA) where: Base-Base interactions energy: -954.985 where: short stacking energy: -392.018 Base-Backbone interact. energy: -2.533 local terms energy: -424.644948 where: bonds (distance) C4'-P energy: -77.173 bonds (distance) P-C4' energy: -76.587 flat angles C4'-P-C4' energy: -97.161 flat angles P-C4'-P energy: -62.295 tors. eta vs tors. theta energy: -111.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1323.448248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.448248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.448248 (E_RNA) where: Base-Base interactions energy: -908.263 where: short stacking energy: -362.360 Base-Backbone interact. energy: -3.298 local terms energy: -411.887012 where: bonds (distance) C4'-P energy: -79.628 bonds (distance) P-C4' energy: -78.642 flat angles C4'-P-C4' energy: -85.173 flat angles P-C4'-P energy: -63.095 tors. eta vs tors. theta energy: -105.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1205.610209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.610209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.610209 (E_RNA) where: Base-Base interactions energy: -845.362 where: short stacking energy: -354.993 Base-Backbone interact. energy: -1.371 local terms energy: -358.877656 where: bonds (distance) C4'-P energy: -67.727 bonds (distance) P-C4' energy: -76.645 flat angles C4'-P-C4' energy: -80.073 flat angles P-C4'-P energy: -56.248 tors. eta vs tors. theta energy: -78.184 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: 4, replica: 9 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1193.114188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.114188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.114188 (E_RNA) where: Base-Base interactions energy: -814.502 where: short stacking energy: -365.935 Base-Backbone interact. energy: -1.477 local terms energy: -377.135104 where: bonds (distance) C4'-P energy: -61.127 bonds (distance) P-C4' energy: -62.438 flat angles C4'-P-C4' energy: -87.656 flat angles P-C4'-P energy: -58.705 tors. eta vs tors. theta energy: -107.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1021.301822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.301822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.301822 (E_RNA) where: Base-Base interactions energy: -649.766 where: short stacking energy: -303.342 Base-Backbone interact. energy: -0.762 local terms energy: -370.773443 where: bonds (distance) C4'-P energy: -70.700 bonds (distance) P-C4' energy: -81.185 flat angles C4'-P-C4' energy: -79.754 flat angles P-C4'-P energy: -57.243 tors. eta vs tors. theta energy: -81.892 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: 6, replica: 1 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1015.508489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.508489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.508489 (E_RNA) where: Base-Base interactions energy: -675.417 where: short stacking energy: -295.415 Base-Backbone interact. energy: -3.043 local terms energy: -337.048495 where: bonds (distance) C4'-P energy: -61.735 bonds (distance) P-C4' energy: -79.849 flat angles C4'-P-C4' energy: -72.322 flat angles P-C4'-P energy: -41.069 tors. eta vs tors. theta energy: -82.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -960.474497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.474497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.474497 (E_RNA) where: Base-Base interactions energy: -634.735 where: short stacking energy: -289.746 Base-Backbone interact. energy: -3.467 local terms energy: -322.272588 where: bonds (distance) C4'-P energy: -67.987 bonds (distance) P-C4' energy: -65.843 flat angles C4'-P-C4' energy: -75.748 flat angles P-C4'-P energy: -49.094 tors. eta vs tors. theta energy: -63.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -688.246267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.246267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.246267 (E_RNA) where: Base-Base interactions energy: -445.697 where: short stacking energy: -211.338 Base-Backbone interact. energy: 1.616 local terms energy: -244.165326 where: bonds (distance) C4'-P energy: -57.185 bonds (distance) P-C4' energy: -61.892 flat angles C4'-P-C4' energy: -59.464 flat angles P-C4'-P energy: -30.927 tors. eta vs tors. theta energy: -34.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -540.132434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.132434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.132434 (E_RNA) where: Base-Base interactions energy: -303.474 where: short stacking energy: -169.869 Base-Backbone interact. energy: 2.828 local terms energy: -239.487086 where: bonds (distance) C4'-P energy: -56.682 bonds (distance) P-C4' energy: -60.207 flat angles C4'-P-C4' energy: -66.507 flat angles P-C4'-P energy: -38.430 tors. eta vs tors. theta energy: -17.661 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: 2 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -528.903933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.903933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.903933 (E_RNA) where: Base-Base interactions energy: -291.124 where: short stacking energy: -174.747 Base-Backbone interact. energy: -1.285 local terms energy: -236.494508 where: bonds (distance) C4'-P energy: -70.426 bonds (distance) P-C4' energy: -78.732 flat angles C4'-P-C4' energy: -49.842 flat angles P-C4'-P energy: -22.200 tors. eta vs tors. theta energy: -15.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1363.147417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.147417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.147417 (E_RNA) where: Base-Base interactions energy: -970.331 where: short stacking energy: -412.847 Base-Backbone interact. energy: -1.429 local terms energy: -391.387694 where: bonds (distance) C4'-P energy: -74.639 bonds (distance) P-C4' energy: -54.699 flat angles C4'-P-C4' energy: -92.931 flat angles P-C4'-P energy: -66.822 tors. eta vs tors. theta energy: -102.298 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: 8 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1328.327812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.327812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.327812 (E_RNA) where: Base-Base interactions energy: -915.640 where: short stacking energy: -379.866 Base-Backbone interact. energy: -0.425 local terms energy: -412.262680 where: bonds (distance) C4'-P energy: -66.140 bonds (distance) P-C4' energy: -84.630 flat angles C4'-P-C4' energy: -90.249 flat angles P-C4'-P energy: -57.919 tors. eta vs tors. theta energy: -113.325 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: 3, replica: 3 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1280.149521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.149521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.149521 (E_RNA) where: Base-Base interactions energy: -877.737 where: short stacking energy: -386.908 Base-Backbone interact. energy: -2.133 local terms energy: -400.279509 where: bonds (distance) C4'-P energy: -75.009 bonds (distance) P-C4' energy: -82.029 flat angles C4'-P-C4' energy: -88.787 flat angles P-C4'-P energy: -57.335 tors. eta vs tors. theta energy: -97.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1175.441635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.441635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.441635 (E_RNA) where: Base-Base interactions energy: -785.513 where: short stacking energy: -331.091 Base-Backbone interact. energy: 0.464 local terms energy: -390.392887 where: bonds (distance) C4'-P energy: -81.084 bonds (distance) P-C4' energy: -71.175 flat angles C4'-P-C4' energy: -80.239 flat angles P-C4'-P energy: -59.638 tors. eta vs tors. theta energy: -98.257 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: 5, replica: 6 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1005.064574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.064574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.064574 (E_RNA) where: Base-Base interactions energy: -654.110 where: short stacking energy: -294.930 Base-Backbone interact. energy: -1.835 local terms energy: -349.119906 where: bonds (distance) C4'-P energy: -67.603 bonds (distance) P-C4' energy: -73.046 flat angles C4'-P-C4' energy: -91.633 flat angles P-C4'-P energy: -42.568 tors. eta vs tors. theta energy: -74.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1049.822752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.822752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.822752 (E_RNA) where: Base-Base interactions energy: -703.809 where: short stacking energy: -319.368 Base-Backbone interact. energy: 0.560 local terms energy: -346.573213 where: bonds (distance) C4'-P energy: -52.795 bonds (distance) P-C4' energy: -73.659 flat angles C4'-P-C4' energy: -85.100 flat angles P-C4'-P energy: -42.019 tors. eta vs tors. theta energy: -93.001 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: 7 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -865.998436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.998436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.998436 (E_RNA) where: Base-Base interactions energy: -561.933 where: short stacking energy: -261.875 Base-Backbone interact. energy: 3.194 local terms energy: -307.259296 where: bonds (distance) C4'-P energy: -70.782 bonds (distance) P-C4' energy: -70.310 flat angles C4'-P-C4' energy: -76.126 flat angles P-C4'-P energy: -41.827 tors. eta vs tors. theta energy: -48.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -694.507993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.507993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.507993 (E_RNA) where: Base-Base interactions energy: -416.663 where: short stacking energy: -201.384 Base-Backbone interact. energy: 0.980 local terms energy: -278.824681 where: bonds (distance) C4'-P energy: -53.263 bonds (distance) P-C4' energy: -77.431 flat angles C4'-P-C4' energy: -71.300 flat angles P-C4'-P energy: -47.356 tors. eta vs tors. theta energy: -29.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -496.182343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.182343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.182343 (E_RNA) where: Base-Base interactions energy: -275.138 where: short stacking energy: -165.618 Base-Backbone interact. energy: -0.294 local terms energy: -220.750450 where: bonds (distance) C4'-P energy: -62.519 bonds (distance) P-C4' energy: -64.013 flat angles C4'-P-C4' energy: -45.414 flat angles P-C4'-P energy: -39.943 tors. eta vs tors. theta energy: -8.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -474.588093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.588093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.588093 (E_RNA) where: Base-Base interactions energy: -231.419 where: short stacking energy: -114.906 Base-Backbone interact. energy: -3.112 local terms energy: -240.057788 where: bonds (distance) C4'-P energy: -73.910 bonds (distance) P-C4' energy: -79.980 flat angles C4'-P-C4' energy: -61.183 flat angles P-C4'-P energy: -29.659 tors. eta vs tors. theta energy: 4.674 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: 8 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1359.272622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.272622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.272622 (E_RNA) where: Base-Base interactions energy: -964.420 where: short stacking energy: -387.569 Base-Backbone interact. energy: -4.238 local terms energy: -390.614024 where: bonds (distance) C4'-P energy: -73.002 bonds (distance) P-C4' energy: -71.486 flat angles C4'-P-C4' energy: -85.267 flat angles P-C4'-P energy: -54.960 tors. eta vs tors. theta energy: -105.900 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: 10 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1312.037741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.037741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.037741 (E_RNA) where: Base-Base interactions energy: -926.412 where: short stacking energy: -378.155 Base-Backbone interact. energy: -1.891 local terms energy: -383.734985 where: bonds (distance) C4'-P energy: -81.673 bonds (distance) P-C4' energy: -61.323 flat angles C4'-P-C4' energy: -85.030 flat angles P-C4'-P energy: -45.484 tors. eta vs tors. theta energy: -110.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1251.373638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.373638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.373638 (E_RNA) where: Base-Base interactions energy: -871.597 where: short stacking energy: -362.549 Base-Backbone interact. energy: 0.149 local terms energy: -379.925742 where: bonds (distance) C4'-P energy: -72.308 bonds (distance) P-C4' energy: -76.117 flat angles C4'-P-C4' energy: -88.299 flat angles P-C4'-P energy: -46.850 tors. eta vs tors. theta energy: -96.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1208.089789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.089789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.089789 (E_RNA) where: Base-Base interactions energy: -839.782 where: short stacking energy: -360.170 Base-Backbone interact. energy: -0.227 local terms energy: -368.080740 where: bonds (distance) C4'-P energy: -71.907 bonds (distance) P-C4' energy: -70.407 flat angles C4'-P-C4' energy: -76.858 flat angles P-C4'-P energy: -52.146 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: 5, replica: 1 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1142.668442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.668442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.668442 (E_RNA) where: Base-Base interactions energy: -788.103 where: short stacking energy: -347.622 Base-Backbone interact. energy: -2.279 local terms energy: -352.287196 where: bonds (distance) C4'-P energy: -67.396 bonds (distance) P-C4' energy: -64.507 flat angles C4'-P-C4' energy: -75.217 flat angles P-C4'-P energy: -46.673 tors. eta vs tors. theta energy: -98.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -973.027250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.027250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.027250 (E_RNA) where: Base-Base interactions energy: -625.658 where: short stacking energy: -296.992 Base-Backbone interact. energy: -0.802 local terms energy: -346.567082 where: bonds (distance) C4'-P energy: -67.757 bonds (distance) P-C4' energy: -66.036 flat angles C4'-P-C4' energy: -74.647 flat angles P-C4'-P energy: -55.331 tors. eta vs tors. theta energy: -82.797 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: 7 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -851.891413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.891413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.891413 (E_RNA) where: Base-Base interactions energy: -569.942 where: short stacking energy: -260.959 Base-Backbone interact. energy: -0.877 local terms energy: -281.072296 where: bonds (distance) C4'-P energy: -66.411 bonds (distance) P-C4' energy: -68.508 flat angles C4'-P-C4' energy: -43.117 flat angles P-C4'-P energy: -42.043 tors. eta vs tors. theta energy: -60.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -710.997418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.997418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.997418 (E_RNA) where: Base-Base interactions energy: -415.882 where: short stacking energy: -203.247 Base-Backbone interact. energy: -0.634 local terms energy: -294.482043 where: bonds (distance) C4'-P energy: -56.765 bonds (distance) P-C4' energy: -66.232 flat angles C4'-P-C4' energy: -80.337 flat angles P-C4'-P energy: -47.862 tors. eta vs tors. theta energy: -43.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -532.501280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.501280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.501280 (E_RNA) where: Base-Base interactions energy: -296.610 where: short stacking energy: -172.321 Base-Backbone interact. energy: -3.460 local terms energy: -232.431216 where: bonds (distance) C4'-P energy: -52.452 bonds (distance) P-C4' energy: -72.300 flat angles C4'-P-C4' energy: -59.719 flat angles P-C4'-P energy: -37.839 tors. eta vs tors. theta energy: -10.122 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: 10, replica: 4 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -478.105521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.105521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.105521 (E_RNA) where: Base-Base interactions energy: -258.370 where: short stacking energy: -144.319 Base-Backbone interact. energy: 1.191 local terms energy: -220.926610 where: bonds (distance) C4'-P energy: -58.369 bonds (distance) P-C4' energy: -64.785 flat angles C4'-P-C4' energy: -71.950 flat angles P-C4'-P energy: -22.927 tors. eta vs tors. theta energy: -2.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1356.108579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.108579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.108579 (E_RNA) where: Base-Base interactions energy: -950.169 where: short stacking energy: -395.009 Base-Backbone interact. energy: 1.054 local terms energy: -406.993453 where: bonds (distance) C4'-P energy: -79.571 bonds (distance) P-C4' energy: -79.391 flat angles C4'-P-C4' energy: -88.143 flat angles P-C4'-P energy: -60.375 tors. eta vs tors. theta energy: -99.514 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: 10 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1336.735184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.735184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.735184 (E_RNA) where: Base-Base interactions energy: -913.159 where: short stacking energy: -376.108 Base-Backbone interact. energy: -5.746 local terms energy: -417.830702 where: bonds (distance) C4'-P energy: -82.547 bonds (distance) P-C4' energy: -83.866 flat angles C4'-P-C4' energy: -82.593 flat angles P-C4'-P energy: -63.644 tors. eta vs tors. theta energy: -105.181 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: 3 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1272.794576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.794576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.794576 (E_RNA) where: Base-Base interactions energy: -870.220 where: short stacking energy: -376.115 Base-Backbone interact. energy: 1.255 local terms energy: -403.830279 where: bonds (distance) C4'-P energy: -77.077 bonds (distance) P-C4' energy: -80.894 flat angles C4'-P-C4' energy: -86.705 flat angles P-C4'-P energy: -58.263 tors. eta vs tors. theta energy: -100.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1177.843011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.843011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.843011 (E_RNA) where: Base-Base interactions energy: -804.690 where: short stacking energy: -348.612 Base-Backbone interact. energy: -0.411 local terms energy: -372.742807 where: bonds (distance) C4'-P energy: -74.218 bonds (distance) P-C4' energy: -62.673 flat angles C4'-P-C4' energy: -80.498 flat angles P-C4'-P energy: -54.364 tors. eta vs tors. theta energy: -100.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1130.136515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.136515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.136515 (E_RNA) where: Base-Base interactions energy: -746.682 where: short stacking energy: -344.685 Base-Backbone interact. energy: 0.806 local terms energy: -384.260740 where: bonds (distance) C4'-P energy: -74.626 bonds (distance) P-C4' energy: -71.405 flat angles C4'-P-C4' energy: -81.724 flat angles P-C4'-P energy: -49.275 tors. eta vs tors. theta energy: -107.230 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: 6 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -993.450332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.450332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.450332 (E_RNA) where: Base-Base interactions energy: -645.116 where: short stacking energy: -302.719 Base-Backbone interact. energy: 0.461 local terms energy: -348.794469 where: bonds (distance) C4'-P energy: -64.232 bonds (distance) P-C4' energy: -69.923 flat angles C4'-P-C4' energy: -79.381 flat angles P-C4'-P energy: -54.526 tors. eta vs tors. theta energy: -80.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -891.136606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.136606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.136606 (E_RNA) where: Base-Base interactions energy: -563.443 where: short stacking energy: -251.547 Base-Backbone interact. energy: -1.302 local terms energy: -326.391355 where: bonds (distance) C4'-P energy: -80.310 bonds (distance) P-C4' energy: -64.638 flat angles C4'-P-C4' energy: -76.767 flat angles P-C4'-P energy: -47.311 tors. eta vs tors. theta energy: -57.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -692.654511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.654511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.654511 (E_RNA) where: Base-Base interactions energy: -413.156 where: short stacking energy: -191.699 Base-Backbone interact. energy: 0.941 local terms energy: -280.439135 where: bonds (distance) C4'-P energy: -68.731 bonds (distance) P-C4' energy: -65.573 flat angles C4'-P-C4' energy: -70.882 flat angles P-C4'-P energy: -35.808 tors. eta vs tors. theta energy: -39.445 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: 2 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -535.146882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.146882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.146882 (E_RNA) where: Base-Base interactions energy: -290.250 where: short stacking energy: -142.294 Base-Backbone interact. energy: -1.653 local terms energy: -243.244036 where: bonds (distance) C4'-P energy: -69.782 bonds (distance) P-C4' energy: -51.749 flat angles C4'-P-C4' energy: -78.835 flat angles P-C4'-P energy: -38.897 tors. eta vs tors. theta energy: -3.981 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: 4 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -458.029533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.029533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.029533 (E_RNA) where: Base-Base interactions energy: -231.670 where: short stacking energy: -134.462 Base-Backbone interact. energy: -0.735 local terms energy: -225.624463 where: bonds (distance) C4'-P energy: -53.925 bonds (distance) P-C4' energy: -72.980 flat angles C4'-P-C4' energy: -61.036 flat angles P-C4'-P energy: -36.161 tors. eta vs tors. theta energy: -1.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1359.681853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.681853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.681853 (E_RNA) where: Base-Base interactions energy: -924.420 where: short stacking energy: -373.814 Base-Backbone interact. energy: -2.890 local terms energy: -432.371913 where: bonds (distance) C4'-P energy: -88.408 bonds (distance) P-C4' energy: -84.618 flat angles C4'-P-C4' energy: -89.979 flat angles P-C4'-P energy: -61.037 tors. eta vs tors. theta energy: -108.329 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: 10 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1315.414708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.414708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.414708 (E_RNA) where: Base-Base interactions energy: -917.860 where: short stacking energy: -381.142 Base-Backbone interact. energy: -2.264 local terms energy: -395.290220 where: bonds (distance) C4'-P energy: -72.206 bonds (distance) P-C4' energy: -65.617 flat angles C4'-P-C4' energy: -89.518 flat angles P-C4'-P energy: -62.836 tors. eta vs tors. theta energy: -105.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1275.763617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.763617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.763617 (E_RNA) where: Base-Base interactions energy: -888.113 where: short stacking energy: -367.450 Base-Backbone interact. energy: -0.475 local terms energy: -387.175662 where: bonds (distance) C4'-P energy: -79.184 bonds (distance) P-C4' energy: -64.113 flat angles C4'-P-C4' energy: -82.638 flat angles P-C4'-P energy: -66.193 tors. eta vs tors. theta energy: -95.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1198.428251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.428251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.428251 (E_RNA) where: Base-Base interactions energy: -827.240 where: short stacking energy: -363.721 Base-Backbone interact. energy: -2.110 local terms energy: -369.077390 where: bonds (distance) C4'-P energy: -66.489 bonds (distance) P-C4' energy: -70.717 flat angles C4'-P-C4' energy: -83.911 flat angles P-C4'-P energy: -49.631 tors. eta vs tors. theta energy: -98.330 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: 1 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1122.249960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.249960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.249960 (E_RNA) where: Base-Base interactions energy: -764.335 where: short stacking energy: -337.690 Base-Backbone interact. energy: -1.289 local terms energy: -356.626025 where: bonds (distance) C4'-P energy: -71.101 bonds (distance) P-C4' energy: -65.060 flat angles C4'-P-C4' energy: -80.351 flat angles P-C4'-P energy: -44.856 tors. eta vs tors. theta energy: -95.259 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: 6 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -989.143833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.143833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.143833 (E_RNA) where: Base-Base interactions energy: -657.346 where: short stacking energy: -285.404 Base-Backbone interact. energy: 0.816 local terms energy: -332.614204 where: bonds (distance) C4'-P energy: -68.561 bonds (distance) P-C4' energy: -67.278 flat angles C4'-P-C4' energy: -69.993 flat angles P-C4'-P energy: -59.533 tors. eta vs tors. theta energy: -67.250 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: 7 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -844.679810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.679810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.679810 (E_RNA) where: Base-Base interactions energy: -526.603 where: short stacking energy: -242.097 Base-Backbone interact. energy: -0.752 local terms energy: -317.324396 where: bonds (distance) C4'-P energy: -66.867 bonds (distance) P-C4' energy: -82.471 flat angles C4'-P-C4' energy: -63.051 flat angles P-C4'-P energy: -48.369 tors. eta vs tors. theta energy: -56.566 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: 8, replica: 5 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -708.045530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.045530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.045530 (E_RNA) where: Base-Base interactions energy: -430.300 where: short stacking energy: -225.920 Base-Backbone interact. energy: -1.258 local terms energy: -276.487479 where: bonds (distance) C4'-P energy: -63.223 bonds (distance) P-C4' energy: -73.373 flat angles C4'-P-C4' energy: -61.237 flat angles P-C4'-P energy: -38.285 tors. eta vs tors. theta energy: -40.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -501.669778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.669778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.669778 (E_RNA) where: Base-Base interactions energy: -269.021 where: short stacking energy: -153.556 Base-Backbone interact. energy: -2.368 local terms energy: -230.280802 where: bonds (distance) C4'-P energy: -50.995 bonds (distance) P-C4' energy: -69.938 flat angles C4'-P-C4' energy: -64.016 flat angles P-C4'-P energy: -39.946 tors. eta vs tors. theta energy: -5.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -486.257441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.257441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.257441 (E_RNA) where: Base-Base interactions energy: -268.669 where: short stacking energy: -137.365 Base-Backbone interact. energy: 1.040 local terms energy: -218.628615 where: bonds (distance) C4'-P energy: -73.140 bonds (distance) P-C4' energy: -58.980 flat angles C4'-P-C4' energy: -52.791 flat angles P-C4'-P energy: -27.191 tors. eta vs tors. theta energy: -6.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1367.882379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.882379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.882379 (E_RNA) where: Base-Base interactions energy: -959.062 where: short stacking energy: -397.332 Base-Backbone interact. energy: 0.630 local terms energy: -409.450588 where: bonds (distance) C4'-P energy: -76.556 bonds (distance) P-C4' energy: -77.956 flat angles C4'-P-C4' energy: -85.380 flat angles P-C4'-P energy: -58.369 tors. eta vs tors. theta energy: -111.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1332.501717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.501717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.501717 (E_RNA) where: Base-Base interactions energy: -919.579 where: short stacking energy: -391.103 Base-Backbone interact. energy: -0.207 local terms energy: -412.715489 where: bonds (distance) C4'-P energy: -90.066 bonds (distance) P-C4' energy: -68.753 flat angles C4'-P-C4' energy: -82.118 flat angles P-C4'-P energy: -55.817 tors. eta vs tors. theta energy: -115.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1270.858046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.858046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.858046 (E_RNA) where: Base-Base interactions energy: -888.544 where: short stacking energy: -352.613 Base-Backbone interact. energy: -0.917 local terms energy: -381.397467 where: bonds (distance) C4'-P energy: -79.363 bonds (distance) P-C4' energy: -68.171 flat angles C4'-P-C4' energy: -81.338 flat angles P-C4'-P energy: -52.358 tors. eta vs tors. theta energy: -100.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1195.081061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.081061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.081061 (E_RNA) where: Base-Base interactions energy: -838.700 where: short stacking energy: -357.214 Base-Backbone interact. energy: 3.899 local terms energy: -360.279414 where: bonds (distance) C4'-P energy: -60.934 bonds (distance) P-C4' energy: -68.883 flat angles C4'-P-C4' energy: -85.691 flat angles P-C4'-P energy: -52.897 tors. eta vs tors. theta energy: -91.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1109.875558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.875558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.875558 (E_RNA) where: Base-Base interactions energy: -744.949 where: short stacking energy: -342.757 Base-Backbone interact. energy: -1.092 local terms energy: -363.833784 where: bonds (distance) C4'-P energy: -68.590 bonds (distance) P-C4' energy: -75.733 flat angles C4'-P-C4' energy: -75.732 flat angles P-C4'-P energy: -45.160 tors. eta vs tors. theta energy: -98.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1016.408775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.408775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.408775 (E_RNA) where: Base-Base interactions energy: -693.146 where: short stacking energy: -292.850 Base-Backbone interact. energy: -1.027 local terms energy: -322.235887 where: bonds (distance) C4'-P energy: -66.587 bonds (distance) P-C4' energy: -75.809 flat angles C4'-P-C4' energy: -74.477 flat angles P-C4'-P energy: -43.044 tors. eta vs tors. theta energy: -62.319 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: 7 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -830.988681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.988681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.988681 (E_RNA) where: Base-Base interactions energy: -523.378 where: short stacking energy: -247.035 Base-Backbone interact. energy: 0.236 local terms energy: -307.847329 where: bonds (distance) C4'-P energy: -82.059 bonds (distance) P-C4' energy: -42.418 flat angles C4'-P-C4' energy: -70.885 flat angles P-C4'-P energy: -55.635 tors. eta vs tors. theta energy: -56.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -767.520024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.520024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.520024 (E_RNA) where: Base-Base interactions energy: -473.771 where: short stacking energy: -234.078 Base-Backbone interact. energy: -1.895 local terms energy: -291.854716 where: bonds (distance) C4'-P energy: -65.626 bonds (distance) P-C4' energy: -65.538 flat angles C4'-P-C4' energy: -64.301 flat angles P-C4'-P energy: -40.720 tors. eta vs tors. theta energy: -55.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -503.950687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.950687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.950687 (E_RNA) where: Base-Base interactions energy: -270.109 where: short stacking energy: -175.409 Base-Backbone interact. energy: -1.964 local terms energy: -231.877544 where: bonds (distance) C4'-P energy: -55.599 bonds (distance) P-C4' energy: -57.379 flat angles C4'-P-C4' energy: -64.286 flat angles P-C4'-P energy: -38.203 tors. eta vs tors. theta energy: -16.410 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: 2 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -509.209505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.209505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.209505 (E_RNA) where: Base-Base interactions energy: -293.148 where: short stacking energy: -138.031 Base-Backbone interact. energy: -1.068 local terms energy: -214.993286 where: bonds (distance) C4'-P energy: -59.931 bonds (distance) P-C4' energy: -64.635 flat angles C4'-P-C4' energy: -49.686 flat angles P-C4'-P energy: -37.204 tors. eta vs tors. theta energy: -3.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1389.225015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.225015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.225015 (E_RNA) where: Base-Base interactions energy: -965.040 where: short stacking energy: -384.640 Base-Backbone interact. energy: -5.096 local terms energy: -419.089404 where: bonds (distance) C4'-P energy: -76.997 bonds (distance) P-C4' energy: -76.075 flat angles C4'-P-C4' energy: -84.711 flat angles P-C4'-P energy: -73.281 tors. eta vs tors. theta energy: -108.026 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: 10 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1314.217410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.217410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.217410 (E_RNA) where: Base-Base interactions energy: -906.889 where: short stacking energy: -374.503 Base-Backbone interact. energy: -0.888 local terms energy: -406.440472 where: bonds (distance) C4'-P energy: -74.941 bonds (distance) P-C4' energy: -79.274 flat angles C4'-P-C4' energy: -83.372 flat angles P-C4'-P energy: -59.347 tors. eta vs tors. theta energy: -109.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1270.465138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.465138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.465138 (E_RNA) where: Base-Base interactions energy: -860.793 where: short stacking energy: -356.109 Base-Backbone interact. energy: -1.666 local terms energy: -408.005470 where: bonds (distance) C4'-P energy: -81.540 bonds (distance) P-C4' energy: -78.422 flat angles C4'-P-C4' energy: -93.965 flat angles P-C4'-P energy: -54.147 tors. eta vs tors. theta energy: -99.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1148.218387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.218387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.218387 (E_RNA) where: Base-Base interactions energy: -782.758 where: short stacking energy: -337.013 Base-Backbone interact. energy: -2.265 local terms energy: -363.194649 where: bonds (distance) C4'-P energy: -60.552 bonds (distance) P-C4' energy: -69.761 flat angles C4'-P-C4' energy: -80.576 flat angles P-C4'-P energy: -67.550 tors. eta vs tors. theta energy: -84.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1139.003285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.003285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.003285 (E_RNA) where: Base-Base interactions energy: -768.547 where: short stacking energy: -339.522 Base-Backbone interact. energy: -0.234 local terms energy: -370.221927 where: bonds (distance) C4'-P energy: -73.001 bonds (distance) P-C4' energy: -83.893 flat angles C4'-P-C4' energy: -75.475 flat angles P-C4'-P energy: -52.988 tors. eta vs tors. theta energy: -84.865 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: 6, replica: 6 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1018.156054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.156054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.156054 (E_RNA) where: Base-Base interactions energy: -689.599 where: short stacking energy: -307.122 Base-Backbone interact. energy: -0.570 local terms energy: -327.987240 where: bonds (distance) C4'-P energy: -60.923 bonds (distance) P-C4' energy: -62.110 flat angles C4'-P-C4' energy: -76.550 flat angles P-C4'-P energy: -51.425 tors. eta vs tors. theta energy: -76.980 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: 7 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -840.953800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.953800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.953800 (E_RNA) where: Base-Base interactions energy: -529.492 where: short stacking energy: -235.342 Base-Backbone interact. energy: 1.127 local terms energy: -312.589045 where: bonds (distance) C4'-P energy: -66.999 bonds (distance) P-C4' energy: -79.441 flat angles C4'-P-C4' energy: -75.344 flat angles P-C4'-P energy: -47.175 tors. eta vs tors. theta energy: -43.629 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: 5 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -713.022015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.022015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.022015 (E_RNA) where: Base-Base interactions energy: -449.121 where: short stacking energy: -219.100 Base-Backbone interact. energy: 3.069 local terms energy: -266.970123 where: bonds (distance) C4'-P energy: -58.233 bonds (distance) P-C4' energy: -69.669 flat angles C4'-P-C4' energy: -70.691 flat angles P-C4'-P energy: -27.655 tors. eta vs tors. theta energy: -40.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -521.694994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.694994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.694994 (E_RNA) where: Base-Base interactions energy: -316.626 where: short stacking energy: -149.986 Base-Backbone interact. energy: -1.375 local terms energy: -203.693797 where: bonds (distance) C4'-P energy: -48.154 bonds (distance) P-C4' energy: -60.230 flat angles C4'-P-C4' energy: -51.581 flat angles P-C4'-P energy: -28.978 tors. eta vs tors. theta energy: -14.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -518.873560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.873560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.873560 (E_RNA) where: Base-Base interactions energy: -288.299 where: short stacking energy: -124.623 Base-Backbone interact. energy: -1.539 local terms energy: -229.035233 where: bonds (distance) C4'-P energy: -70.662 bonds (distance) P-C4' energy: -69.391 flat angles C4'-P-C4' energy: -57.868 flat angles P-C4'-P energy: -35.098 tors. eta vs tors. theta energy: 3.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1366.617898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.617898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.617898 (E_RNA) where: Base-Base interactions energy: -958.161 where: short stacking energy: -372.156 Base-Backbone interact. energy: -3.465 local terms energy: -404.991756 where: bonds (distance) C4'-P energy: -82.366 bonds (distance) P-C4' energy: -77.712 flat angles C4'-P-C4' energy: -81.610 flat angles P-C4'-P energy: -58.982 tors. eta vs tors. theta energy: -104.322 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: 2, replica: 10 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1312.988971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.988971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.988971 (E_RNA) where: Base-Base interactions energy: -907.655 where: short stacking energy: -389.709 Base-Backbone interact. energy: 1.970 local terms energy: -407.303824 where: bonds (distance) C4'-P energy: -74.632 bonds (distance) P-C4' energy: -72.503 flat angles C4'-P-C4' energy: -87.211 flat angles P-C4'-P energy: -64.148 tors. eta vs tors. theta energy: -108.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1283.002614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.002614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.002614 (E_RNA) where: Base-Base interactions energy: -897.611 where: short stacking energy: -337.907 Base-Backbone interact. energy: -2.165 local terms energy: -383.226401 where: bonds (distance) C4'-P energy: -80.854 bonds (distance) P-C4' energy: -67.971 flat angles C4'-P-C4' energy: -79.160 flat angles P-C4'-P energy: -57.792 tors. eta vs tors. theta energy: -97.450 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: 1 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1195.226867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.226867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.226867 (E_RNA) where: Base-Base interactions energy: -821.110 where: short stacking energy: -379.735 Base-Backbone interact. energy: -4.417 local terms energy: -369.699941 where: bonds (distance) C4'-P energy: -79.808 bonds (distance) P-C4' energy: -59.327 flat angles C4'-P-C4' energy: -69.273 flat angles P-C4'-P energy: -58.271 tors. eta vs tors. theta energy: -103.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1139.386156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.386156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.386156 (E_RNA) where: Base-Base interactions energy: -774.441 where: short stacking energy: -332.850 Base-Backbone interact. energy: -1.966 local terms energy: -362.978714 where: bonds (distance) C4'-P energy: -63.879 bonds (distance) P-C4' energy: -83.622 flat angles C4'-P-C4' energy: -76.444 flat angles P-C4'-P energy: -47.593 tors. eta vs tors. theta energy: -91.440 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: 6 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1065.379359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.379359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.379359 (E_RNA) where: Base-Base interactions energy: -719.370 where: short stacking energy: -324.710 Base-Backbone interact. energy: -0.935 local terms energy: -345.074288 where: bonds (distance) C4'-P energy: -75.670 bonds (distance) P-C4' energy: -66.917 flat angles C4'-P-C4' energy: -81.548 flat angles P-C4'-P energy: -37.695 tors. eta vs tors. theta energy: -83.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -919.528853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.528853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.528853 (E_RNA) where: Base-Base interactions energy: -612.061 where: short stacking energy: -280.323 Base-Backbone interact. energy: 0.643 local terms energy: -308.110260 where: bonds (distance) C4'-P energy: -69.615 bonds (distance) P-C4' energy: -53.161 flat angles C4'-P-C4' energy: -61.000 flat angles P-C4'-P energy: -47.647 tors. eta vs tors. theta energy: -76.687 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: 5 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -733.158207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.158207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.158207 (E_RNA) where: Base-Base interactions energy: -452.382 where: short stacking energy: -205.178 Base-Backbone interact. energy: -1.850 local terms energy: -278.925732 where: bonds (distance) C4'-P energy: -61.996 bonds (distance) P-C4' energy: -75.054 flat angles C4'-P-C4' energy: -56.100 flat angles P-C4'-P energy: -43.830 tors. eta vs tors. theta energy: -41.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -532.196920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.196920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.196920 (E_RNA) where: Base-Base interactions energy: -285.525 where: short stacking energy: -159.116 Base-Backbone interact. energy: -1.405 local terms energy: -245.267039 where: bonds (distance) C4'-P energy: -62.178 bonds (distance) P-C4' energy: -72.036 flat angles C4'-P-C4' energy: -57.902 flat angles P-C4'-P energy: -29.663 tors. eta vs tors. theta energy: -23.488 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: 2 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -491.508213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.508213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.508213 (E_RNA) where: Base-Base interactions energy: -264.036 where: short stacking energy: -146.901 Base-Backbone interact. energy: 0.789 local terms energy: -228.260846 where: bonds (distance) C4'-P energy: -54.217 bonds (distance) P-C4' energy: -66.107 flat angles C4'-P-C4' energy: -63.373 flat angles P-C4'-P energy: -41.174 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: 8 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1368.059123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.059123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.059123 (E_RNA) where: Base-Base interactions energy: -960.100 where: short stacking energy: -378.457 Base-Backbone interact. energy: -4.395 local terms energy: -403.564291 where: bonds (distance) C4'-P energy: -79.914 bonds (distance) P-C4' energy: -80.435 flat angles C4'-P-C4' energy: -91.764 flat angles P-C4'-P energy: -52.896 tors. eta vs tors. theta energy: -98.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1330.721351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.721351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.721351 (E_RNA) where: Base-Base interactions energy: -911.904 where: short stacking energy: -387.786 Base-Backbone interact. energy: 1.829 local terms energy: -420.646136 where: bonds (distance) C4'-P energy: -77.858 bonds (distance) P-C4' energy: -78.749 flat angles C4'-P-C4' energy: -91.124 flat angles P-C4'-P energy: -60.233 tors. eta vs tors. theta energy: -112.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1268.619943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.619943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.619943 (E_RNA) where: Base-Base interactions energy: -890.704 where: short stacking energy: -365.714 Base-Backbone interact. energy: 2.743 local terms energy: -380.659198 where: bonds (distance) C4'-P energy: -73.314 bonds (distance) P-C4' energy: -72.890 flat angles C4'-P-C4' energy: -78.352 flat angles P-C4'-P energy: -50.688 tors. eta vs tors. theta energy: -105.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1173.946961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.946961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.946961 (E_RNA) where: Base-Base interactions energy: -792.647 where: short stacking energy: -356.184 Base-Backbone interact. energy: -0.536 local terms energy: -380.763814 where: bonds (distance) C4'-P energy: -75.730 bonds (distance) P-C4' energy: -70.705 flat angles C4'-P-C4' energy: -73.285 flat angles P-C4'-P energy: -55.693 tors. eta vs tors. theta energy: -105.351 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: 102 Temperature: 1.100000 Total energy: -1150.090864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.090864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.090864 (E_RNA) where: Base-Base interactions energy: -775.361 where: short stacking energy: -326.256 Base-Backbone interact. energy: -3.791 local terms energy: -370.938821 where: bonds (distance) C4'-P energy: -59.503 bonds (distance) P-C4' energy: -76.407 flat angles C4'-P-C4' energy: -81.867 flat angles P-C4'-P energy: -59.701 tors. eta vs tors. theta energy: -93.461 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: 6 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1074.678794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.678794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.678794 (E_RNA) where: Base-Base interactions energy: -721.182 where: short stacking energy: -313.533 Base-Backbone interact. energy: -0.916 local terms energy: -352.581216 where: bonds (distance) C4'-P energy: -72.957 bonds (distance) P-C4' energy: -75.938 flat angles C4'-P-C4' energy: -83.402 flat angles P-C4'-P energy: -38.535 tors. eta vs tors. theta energy: -81.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -952.503169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.503169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.503169 (E_RNA) where: Base-Base interactions energy: -632.065 where: short stacking energy: -317.367 Base-Backbone interact. energy: -1.655 local terms energy: -318.782340 where: bonds (distance) C4'-P energy: -65.554 bonds (distance) P-C4' energy: -63.705 flat angles C4'-P-C4' energy: -64.774 flat angles P-C4'-P energy: -48.082 tors. eta vs tors. theta energy: -76.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -736.641345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.641345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.641345 (E_RNA) where: Base-Base interactions energy: -454.550 where: short stacking energy: -219.661 Base-Backbone interact. energy: -0.348 local terms energy: -281.743518 where: bonds (distance) C4'-P energy: -61.040 bonds (distance) P-C4' energy: -64.323 flat angles C4'-P-C4' energy: -67.657 flat angles P-C4'-P energy: -39.984 tors. eta vs tors. theta energy: -48.740 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: 4 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -493.115454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.115454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.115454 (E_RNA) where: Base-Base interactions energy: -281.961 where: short stacking energy: -149.583 Base-Backbone interact. energy: 8.903 local terms energy: -220.056847 where: bonds (distance) C4'-P energy: -66.223 bonds (distance) P-C4' energy: -66.502 flat angles C4'-P-C4' energy: -53.363 flat angles P-C4'-P energy: -26.487 tors. eta vs tors. theta energy: -7.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -476.898371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.898371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.898371 (E_RNA) where: Base-Base interactions energy: -264.481 where: short stacking energy: -131.933 Base-Backbone interact. energy: 0.621 local terms energy: -213.038671 where: bonds (distance) C4'-P energy: -65.949 bonds (distance) P-C4' energy: -55.012 flat angles C4'-P-C4' energy: -42.451 flat angles P-C4'-P energy: -37.734 tors. eta vs tors. theta energy: -11.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1369.489957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.489957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.489957 (E_RNA) where: Base-Base interactions energy: -967.296 where: short stacking energy: -378.577 Base-Backbone interact. energy: -5.105 local terms energy: -397.089337 where: bonds (distance) C4'-P energy: -81.967 bonds (distance) P-C4' energy: -69.724 flat angles C4'-P-C4' energy: -85.863 flat angles P-C4'-P energy: -54.887 tors. eta vs tors. theta energy: -104.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1309.302765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.302765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.302765 (E_RNA) where: Base-Base interactions energy: -920.426 where: short stacking energy: -369.423 Base-Backbone interact. energy: -0.019 local terms energy: -388.857749 where: bonds (distance) C4'-P energy: -70.458 bonds (distance) P-C4' energy: -83.382 flat angles C4'-P-C4' energy: -81.355 flat angles P-C4'-P energy: -56.539 tors. eta vs tors. theta energy: -97.124 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: 10 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1321.465244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.465244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.465244 (E_RNA) where: Base-Base interactions energy: -897.460 where: short stacking energy: -377.266 Base-Backbone interact. energy: 0.956 local terms energy: -424.961593 where: bonds (distance) C4'-P energy: -78.565 bonds (distance) P-C4' energy: -78.606 flat angles C4'-P-C4' energy: -94.638 flat angles P-C4'-P energy: -57.926 tors. eta vs tors. theta energy: -115.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1176.243076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.243076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.243076 (E_RNA) where: Base-Base interactions energy: -794.710 where: short stacking energy: -360.530 Base-Backbone interact. energy: -3.217 local terms energy: -378.316358 where: bonds (distance) C4'-P energy: -63.452 bonds (distance) P-C4' energy: -69.451 flat angles C4'-P-C4' energy: -81.199 flat angles P-C4'-P energy: -54.033 tors. eta vs tors. theta energy: -110.182 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: 9 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1173.000447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.000447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.000447 (E_RNA) where: Base-Base interactions energy: -791.962 where: short stacking energy: -346.957 Base-Backbone interact. energy: -1.277 local terms energy: -379.761096 where: bonds (distance) C4'-P energy: -70.421 bonds (distance) P-C4' energy: -70.487 flat angles C4'-P-C4' energy: -90.674 flat angles P-C4'-P energy: -50.851 tors. eta vs tors. theta energy: -97.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1070.825154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.825154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.825154 (E_RNA) where: Base-Base interactions energy: -735.730 where: short stacking energy: -322.955 Base-Backbone interact. energy: 0.119 local terms energy: -335.214031 where: bonds (distance) C4'-P energy: -67.168 bonds (distance) P-C4' energy: -64.224 flat angles C4'-P-C4' energy: -74.184 flat angles P-C4'-P energy: -46.731 tors. eta vs tors. theta energy: -82.908 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: 7 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -887.909374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.909374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.909374 (E_RNA) where: Base-Base interactions energy: -574.071 where: short stacking energy: -265.630 Base-Backbone interact. energy: 0.838 local terms energy: -314.677109 where: bonds (distance) C4'-P energy: -65.458 bonds (distance) P-C4' energy: -60.760 flat angles C4'-P-C4' energy: -67.195 flat angles P-C4'-P energy: -54.609 tors. eta vs tors. theta energy: -66.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -750.032673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.032673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.032673 (E_RNA) where: Base-Base interactions energy: -466.985 where: short stacking energy: -217.221 Base-Backbone interact. energy: -0.594 local terms energy: -282.453620 where: bonds (distance) C4'-P energy: -56.719 bonds (distance) P-C4' energy: -59.203 flat angles C4'-P-C4' energy: -75.196 flat angles P-C4'-P energy: -57.542 tors. eta vs tors. theta energy: -33.794 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: 4 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -520.589741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.589741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.589741 (E_RNA) where: Base-Base interactions energy: -288.761 where: short stacking energy: -147.231 Base-Backbone interact. energy: -0.735 local terms energy: -231.093719 where: bonds (distance) C4'-P energy: -75.496 bonds (distance) P-C4' energy: -67.001 flat angles C4'-P-C4' energy: -61.415 flat angles P-C4'-P energy: -26.376 tors. eta vs tors. theta energy: -0.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -479.050562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.050562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.050562 (E_RNA) where: Base-Base interactions energy: -241.310 where: short stacking energy: -123.470 Base-Backbone interact. energy: -2.133 local terms energy: -235.606985 where: bonds (distance) C4'-P energy: -75.292 bonds (distance) P-C4' energy: -65.405 flat angles C4'-P-C4' energy: -65.590 flat angles P-C4'-P energy: -32.599 tors. eta vs tors. theta energy: 3.279 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: 8 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1389.197090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.197090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.197090 (E_RNA) where: Base-Base interactions energy: -968.004 where: short stacking energy: -395.513 Base-Backbone interact. energy: -4.744 local terms energy: -416.448935 where: bonds (distance) C4'-P energy: -76.149 bonds (distance) P-C4' energy: -80.693 flat angles C4'-P-C4' energy: -89.220 flat angles P-C4'-P energy: -62.753 tors. eta vs tors. theta energy: -107.633 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: 2, replica: 3 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1329.128166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.128166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.128166 (E_RNA) where: Base-Base interactions energy: -937.843 where: short stacking energy: -393.634 Base-Backbone interact. energy: -0.497 local terms energy: -390.788499 where: bonds (distance) C4'-P energy: -70.303 bonds (distance) P-C4' energy: -75.836 flat angles C4'-P-C4' energy: -84.470 flat angles P-C4'-P energy: -56.892 tors. eta vs tors. theta energy: -103.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1304.067558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.067558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.067558 (E_RNA) where: Base-Base interactions energy: -896.961 where: short stacking energy: -385.494 Base-Backbone interact. energy: -0.710 local terms energy: -406.396524 where: bonds (distance) C4'-P energy: -70.044 bonds (distance) P-C4' energy: -80.951 flat angles C4'-P-C4' energy: -88.038 flat angles P-C4'-P energy: -53.564 tors. eta vs tors. theta energy: -113.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1170.209606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.209606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.209606 (E_RNA) where: Base-Base interactions energy: -789.614 where: short stacking energy: -353.988 Base-Backbone interact. energy: -1.479 local terms energy: -379.116017 where: bonds (distance) C4'-P energy: -62.022 bonds (distance) P-C4' energy: -65.057 flat angles C4'-P-C4' energy: -86.622 flat angles P-C4'-P energy: -58.997 tors. eta vs tors. theta energy: -106.418 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: 9 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1166.481835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.481835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.481835 (E_RNA) where: Base-Base interactions energy: -815.588 where: short stacking energy: -342.957 Base-Backbone interact. energy: -2.166 local terms energy: -348.728066 where: bonds (distance) C4'-P energy: -66.381 bonds (distance) P-C4' energy: -61.100 flat angles C4'-P-C4' energy: -81.661 flat angles P-C4'-P energy: -47.121 tors. eta vs tors. theta energy: -92.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1063.230445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.230445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.230445 (E_RNA) where: Base-Base interactions energy: -700.071 where: short stacking energy: -311.262 Base-Backbone interact. energy: -1.947 local terms energy: -361.212678 where: bonds (distance) C4'-P energy: -73.630 bonds (distance) P-C4' energy: -76.784 flat angles C4'-P-C4' energy: -74.710 flat angles P-C4'-P energy: -49.544 tors. eta vs tors. theta energy: -86.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -910.291622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.291622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.291622 (E_RNA) where: Base-Base interactions energy: -589.294 where: short stacking energy: -270.071 Base-Backbone interact. energy: -2.815 local terms energy: -318.183169 where: bonds (distance) C4'-P energy: -77.049 bonds (distance) P-C4' energy: -58.599 flat angles C4'-P-C4' energy: -72.379 flat angles P-C4'-P energy: -47.488 tors. eta vs tors. theta energy: -62.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -712.912026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.912026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.912026 (E_RNA) where: Base-Base interactions energy: -461.097 where: short stacking energy: -218.738 Base-Backbone interact. energy: 0.328 local terms energy: -252.142172 where: bonds (distance) C4'-P energy: -55.937 bonds (distance) P-C4' energy: -67.874 flat angles C4'-P-C4' energy: -60.261 flat angles P-C4'-P energy: -25.546 tors. eta vs tors. theta energy: -42.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -516.070661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.070661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.070661 (E_RNA) where: Base-Base interactions energy: -302.366 where: short stacking energy: -142.618 Base-Backbone interact. energy: 0.201 local terms energy: -213.905091 where: bonds (distance) C4'-P energy: -66.623 bonds (distance) P-C4' energy: -62.536 flat angles C4'-P-C4' energy: -37.868 flat angles P-C4'-P energy: -32.912 tors. eta vs tors. theta energy: -13.966 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: 4 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -477.200817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.200817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.200817 (E_RNA) where: Base-Base interactions energy: -255.528 where: short stacking energy: -134.605 Base-Backbone interact. energy: 6.061 local terms energy: -227.734215 where: bonds (distance) C4'-P energy: -57.076 bonds (distance) P-C4' energy: -76.074 flat angles C4'-P-C4' energy: -65.537 flat angles P-C4'-P energy: -25.940 tors. eta vs tors. theta energy: -3.108 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: 8 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1400.860748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.860748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.860748 (E_RNA) where: Base-Base interactions energy: -994.537 where: short stacking energy: -375.841 Base-Backbone interact. energy: -3.638 local terms energy: -402.685840 where: bonds (distance) C4'-P energy: -77.152 bonds (distance) P-C4' energy: -72.926 flat angles C4'-P-C4' energy: -89.981 flat angles P-C4'-P energy: -60.997 tors. eta vs tors. theta energy: -101.630 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: 10 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1334.550754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.550754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.550754 (E_RNA) where: Base-Base interactions energy: -920.386 where: short stacking energy: -377.636 Base-Backbone interact. energy: 3.133 local terms energy: -417.298179 where: bonds (distance) C4'-P energy: -86.538 bonds (distance) P-C4' energy: -81.848 flat angles C4'-P-C4' energy: -84.737 flat angles P-C4'-P energy: -58.303 tors. eta vs tors. theta energy: -105.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1269.647966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.647966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.647966 (E_RNA) where: Base-Base interactions energy: -886.974 where: short stacking energy: -362.109 Base-Backbone interact. energy: -2.604 local terms energy: -380.069947 where: bonds (distance) C4'-P energy: -72.941 bonds (distance) P-C4' energy: -67.580 flat angles C4'-P-C4' energy: -92.078 flat angles P-C4'-P energy: -47.189 tors. eta vs tors. theta energy: -100.282 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: 1 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1200.957435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.957435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.957435 (E_RNA) where: Base-Base interactions energy: -818.524 where: short stacking energy: -361.321 Base-Backbone interact. energy: 0.203 local terms energy: -382.636077 where: bonds (distance) C4'-P energy: -65.427 bonds (distance) P-C4' energy: -60.189 flat angles C4'-P-C4' energy: -93.327 flat angles P-C4'-P energy: -57.253 tors. eta vs tors. theta energy: -106.441 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: 9 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1119.337963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.337963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.337963 (E_RNA) where: Base-Base interactions energy: -764.821 where: short stacking energy: -336.159 Base-Backbone interact. energy: 0.304 local terms energy: -354.821414 where: bonds (distance) C4'-P energy: -60.390 bonds (distance) P-C4' energy: -62.965 flat angles C4'-P-C4' energy: -80.508 flat angles P-C4'-P energy: -54.796 tors. eta vs tors. theta energy: -96.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1079.461853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.461853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.461853 (E_RNA) where: Base-Base interactions energy: -711.351 where: short stacking energy: -329.231 Base-Backbone interact. energy: -0.401 local terms energy: -367.710258 where: bonds (distance) C4'-P energy: -72.620 bonds (distance) P-C4' energy: -74.576 flat angles C4'-P-C4' energy: -87.351 flat angles P-C4'-P energy: -40.337 tors. eta vs tors. theta energy: -92.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -803.348135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.348135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.348135 (E_RNA) where: Base-Base interactions energy: -515.233 where: short stacking energy: -235.560 Base-Backbone interact. energy: 0.569 local terms energy: -288.684201 where: bonds (distance) C4'-P energy: -67.493 bonds (distance) P-C4' energy: -74.391 flat angles C4'-P-C4' energy: -62.393 flat angles P-C4'-P energy: -46.225 tors. eta vs tors. theta energy: -38.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -747.860324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.860324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.860324 (E_RNA) where: Base-Base interactions energy: -457.242 where: short stacking energy: -228.347 Base-Backbone interact. energy: -1.030 local terms energy: -289.588300 where: bonds (distance) C4'-P energy: -59.926 bonds (distance) P-C4' energy: -69.944 flat angles C4'-P-C4' energy: -78.931 flat angles P-C4'-P energy: -41.966 tors. eta vs tors. theta energy: -38.822 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: 2 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -587.644416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.644416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.644416 (E_RNA) where: Base-Base interactions energy: -341.498 where: short stacking energy: -148.223 Base-Backbone interact. energy: -0.779 local terms energy: -245.367600 where: bonds (distance) C4'-P energy: -68.458 bonds (distance) P-C4' energy: -79.974 flat angles C4'-P-C4' energy: -64.251 flat angles P-C4'-P energy: -34.197 tors. eta vs tors. theta energy: 1.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -497.307718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.307718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.307718 (E_RNA) where: Base-Base interactions energy: -272.939 where: short stacking energy: -133.323 Base-Backbone interact. energy: 6.260 local terms energy: -230.629224 where: bonds (distance) C4'-P energy: -68.428 bonds (distance) P-C4' energy: -64.325 flat angles C4'-P-C4' energy: -60.884 flat angles P-C4'-P energy: -38.215 tors. eta vs tors. theta energy: 1.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1389.460083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.460083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.460083 (E_RNA) where: Base-Base interactions energy: -980.702 where: short stacking energy: -379.034 Base-Backbone interact. energy: -4.021 local terms energy: -404.737159 where: bonds (distance) C4'-P energy: -78.884 bonds (distance) P-C4' energy: -74.867 flat angles C4'-P-C4' energy: -84.662 flat angles P-C4'-P energy: -62.213 tors. eta vs tors. theta energy: -104.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1311.293666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.293666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.293666 (E_RNA) where: Base-Base interactions energy: -892.112 where: short stacking energy: -396.573 Base-Backbone interact. energy: -1.097 local terms energy: -418.084673 where: bonds (distance) C4'-P energy: -80.920 bonds (distance) P-C4' energy: -81.833 flat angles C4'-P-C4' energy: -84.939 flat angles P-C4'-P energy: -64.671 tors. eta vs tors. theta energy: -105.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1277.059286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.059286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.059286 (E_RNA) where: Base-Base interactions energy: -877.798 where: short stacking energy: -361.738 Base-Backbone interact. energy: -2.403 local terms energy: -396.859137 where: bonds (distance) C4'-P energy: -76.270 bonds (distance) P-C4' energy: -71.546 flat angles C4'-P-C4' energy: -81.274 flat angles P-C4'-P energy: -57.358 tors. eta vs tors. theta energy: -110.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1220.066357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.066357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.066357 (E_RNA) where: Base-Base interactions energy: -816.231 where: short stacking energy: -344.891 Base-Backbone interact. energy: -4.124 local terms energy: -399.711450 where: bonds (distance) C4'-P energy: -72.627 bonds (distance) P-C4' energy: -78.733 flat angles C4'-P-C4' energy: -82.020 flat angles P-C4'-P energy: -55.325 tors. eta vs tors. theta energy: -111.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1113.465274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.465274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.465274 (E_RNA) where: Base-Base interactions energy: -753.172 where: short stacking energy: -323.531 Base-Backbone interact. energy: -0.384 local terms energy: -359.909397 where: bonds (distance) C4'-P energy: -73.116 bonds (distance) P-C4' energy: -71.803 flat angles C4'-P-C4' energy: -76.084 flat angles P-C4'-P energy: -54.822 tors. eta vs tors. theta energy: -84.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1154.714834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.714834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.714834 (E_RNA) where: Base-Base interactions energy: -797.988 where: short stacking energy: -344.766 Base-Backbone interact. energy: 0.256 local terms energy: -356.982860 where: bonds (distance) C4'-P energy: -76.520 bonds (distance) P-C4' energy: -64.853 flat angles C4'-P-C4' energy: -72.895 flat angles P-C4'-P energy: -49.555 tors. eta vs tors. theta energy: -93.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -873.384306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.384306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.384306 (E_RNA) where: Base-Base interactions energy: -558.775 where: short stacking energy: -283.275 Base-Backbone interact. energy: -0.963 local terms energy: -313.646794 where: bonds (distance) C4'-P energy: -60.772 bonds (distance) P-C4' energy: -73.345 flat angles C4'-P-C4' energy: -74.721 flat angles P-C4'-P energy: -32.811 tors. eta vs tors. theta energy: -71.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -699.953341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.953341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.953341 (E_RNA) where: Base-Base interactions energy: -430.783 where: short stacking energy: -220.796 Base-Backbone interact. energy: -2.197 local terms energy: -266.972964 where: bonds (distance) C4'-P energy: -52.094 bonds (distance) P-C4' energy: -51.519 flat angles C4'-P-C4' energy: -70.322 flat angles P-C4'-P energy: -41.679 tors. eta vs tors. theta energy: -51.359 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: 2 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -515.450536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.450536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.450536 (E_RNA) where: Base-Base interactions energy: -272.781 where: short stacking energy: -140.041 Base-Backbone interact. energy: -1.329 local terms energy: -241.340113 where: bonds (distance) C4'-P energy: -67.103 bonds (distance) P-C4' energy: -63.216 flat angles C4'-P-C4' energy: -61.259 flat angles P-C4'-P energy: -46.200 tors. eta vs tors. theta energy: -3.562 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: 4 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -483.825374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.825374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.825374 (E_RNA) where: Base-Base interactions energy: -248.174 where: short stacking energy: -149.265 Base-Backbone interact. energy: 1.171 local terms energy: -236.822682 where: bonds (distance) C4'-P energy: -39.350 bonds (distance) P-C4' energy: -82.911 flat angles C4'-P-C4' energy: -53.517 flat angles P-C4'-P energy: -42.586 tors. eta vs tors. theta energy: -18.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1382.569191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.569191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.569191 (E_RNA) where: Base-Base interactions energy: -970.423 where: short stacking energy: -380.287 Base-Backbone interact. energy: -4.573 local terms energy: -407.573558 where: bonds (distance) C4'-P energy: -74.452 bonds (distance) P-C4' energy: -85.074 flat angles C4'-P-C4' energy: -89.793 flat angles P-C4'-P energy: -57.226 tors. eta vs tors. theta energy: -101.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1324.246136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.246136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.246136 (E_RNA) where: Base-Base interactions energy: -915.237 where: short stacking energy: -376.876 Base-Backbone interact. energy: -2.420 local terms energy: -406.589349 where: bonds (distance) C4'-P energy: -77.499 bonds (distance) P-C4' energy: -72.807 flat angles C4'-P-C4' energy: -85.395 flat angles P-C4'-P energy: -61.408 tors. eta vs tors. theta energy: -109.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1259.650820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.650820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.650820 (E_RNA) where: Base-Base interactions energy: -852.371 where: short stacking energy: -369.963 Base-Backbone interact. energy: -1.852 local terms energy: -405.427921 where: bonds (distance) C4'-P energy: -77.704 bonds (distance) P-C4' energy: -85.912 flat angles C4'-P-C4' energy: -86.744 flat angles P-C4'-P energy: -51.886 tors. eta vs tors. theta energy: -103.182 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: 1 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1208.452249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.452249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.452249 (E_RNA) where: Base-Base interactions energy: -823.003 where: short stacking energy: -355.352 Base-Backbone interact. energy: -1.181 local terms energy: -384.267793 where: bonds (distance) C4'-P energy: -71.060 bonds (distance) P-C4' energy: -73.536 flat angles C4'-P-C4' energy: -85.937 flat angles P-C4'-P energy: -47.745 tors. eta vs tors. theta energy: -105.989 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: 6 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1097.865535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.865535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.865535 (E_RNA) where: Base-Base interactions energy: -737.482 where: short stacking energy: -314.133 Base-Backbone interact. energy: -2.817 local terms energy: -357.566572 where: bonds (distance) C4'-P energy: -67.503 bonds (distance) P-C4' energy: -79.956 flat angles C4'-P-C4' energy: -83.680 flat angles P-C4'-P energy: -50.688 tors. eta vs tors. theta energy: -75.740 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: 9 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1108.026305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.026305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.026305 (E_RNA) where: Base-Base interactions energy: -750.555 where: short stacking energy: -325.925 Base-Backbone interact. energy: -0.127 local terms energy: -357.344576 where: bonds (distance) C4'-P energy: -67.459 bonds (distance) P-C4' energy: -59.920 flat angles C4'-P-C4' energy: -83.011 flat angles P-C4'-P energy: -56.887 tors. eta vs tors. theta energy: -90.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -848.147360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.147360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.147360 (E_RNA) where: Base-Base interactions energy: -542.966 where: short stacking energy: -252.759 Base-Backbone interact. energy: -1.577 local terms energy: -303.604412 where: bonds (distance) C4'-P energy: -64.304 bonds (distance) P-C4' energy: -66.714 flat angles C4'-P-C4' energy: -65.453 flat angles P-C4'-P energy: -44.612 tors. eta vs tors. theta energy: -62.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -712.759205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.759205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.759205 (E_RNA) where: Base-Base interactions energy: -445.129 where: short stacking energy: -222.950 Base-Backbone interact. energy: -1.555 local terms energy: -266.074892 where: bonds (distance) C4'-P energy: -56.267 bonds (distance) P-C4' energy: -60.736 flat angles C4'-P-C4' energy: -65.789 flat angles P-C4'-P energy: -46.301 tors. eta vs tors. theta energy: -36.982 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: 2 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -559.460977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.460977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.460977 (E_RNA) where: Base-Base interactions energy: -299.419 where: short stacking energy: -155.530 Base-Backbone interact. energy: 3.529 local terms energy: -263.570658 where: bonds (distance) C4'-P energy: -65.668 bonds (distance) P-C4' energy: -69.504 flat angles C4'-P-C4' energy: -68.664 flat angles P-C4'-P energy: -38.316 tors. eta vs tors. theta energy: -21.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -461.682586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.682586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.682586 (E_RNA) where: Base-Base interactions energy: -235.151 where: short stacking energy: -118.149 Base-Backbone interact. energy: 0.289 local terms energy: -226.820033 where: bonds (distance) C4'-P energy: -69.328 bonds (distance) P-C4' energy: -71.130 flat angles C4'-P-C4' energy: -51.107 flat angles P-C4'-P energy: -34.775 tors. eta vs tors. theta energy: -0.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1359.769917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.769917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.769917 (E_RNA) where: Base-Base interactions energy: -954.730 where: short stacking energy: -389.351 Base-Backbone interact. energy: -5.001 local terms energy: -400.038792 where: bonds (distance) C4'-P energy: -70.938 bonds (distance) P-C4' energy: -78.559 flat angles C4'-P-C4' energy: -81.389 flat angles P-C4'-P energy: -56.968 tors. eta vs tors. theta energy: -112.184 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: 8 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1341.772810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.772810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.772810 (E_RNA) where: Base-Base interactions energy: -962.437 where: short stacking energy: -376.010 Base-Backbone interact. energy: 1.689 local terms energy: -381.025327 where: bonds (distance) C4'-P energy: -60.489 bonds (distance) P-C4' energy: -77.052 flat angles C4'-P-C4' energy: -87.151 flat angles P-C4'-P energy: -56.580 tors. eta vs tors. theta energy: -99.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1267.099210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.099210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.099210 (E_RNA) where: Base-Base interactions energy: -892.394 where: short stacking energy: -385.295 Base-Backbone interact. energy: 1.508 local terms energy: -376.213110 where: bonds (distance) C4'-P energy: -61.282 bonds (distance) P-C4' energy: -70.758 flat angles C4'-P-C4' energy: -86.247 flat angles P-C4'-P energy: -54.462 tors. eta vs tors. theta energy: -103.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1204.721297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.721297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.721297 (E_RNA) where: Base-Base interactions energy: -814.739 where: short stacking energy: -359.909 Base-Backbone interact. energy: 1.227 local terms energy: -391.208362 where: bonds (distance) C4'-P energy: -71.477 bonds (distance) P-C4' energy: -74.551 flat angles C4'-P-C4' energy: -80.968 flat angles P-C4'-P energy: -51.715 tors. eta vs tors. theta energy: -112.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1168.142067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.142067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.142067 (E_RNA) where: Base-Base interactions energy: -811.952 where: short stacking energy: -349.120 Base-Backbone interact. energy: -1.816 local terms energy: -354.373953 where: bonds (distance) C4'-P energy: -66.663 bonds (distance) P-C4' energy: -66.371 flat angles C4'-P-C4' energy: -75.653 flat angles P-C4'-P energy: -52.730 tors. eta vs tors. theta energy: -92.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1100.410097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.410097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.410097 (E_RNA) where: Base-Base interactions energy: -751.977 where: short stacking energy: -347.436 Base-Backbone interact. energy: 2.758 local terms energy: -351.190982 where: bonds (distance) C4'-P energy: -70.364 bonds (distance) P-C4' energy: -65.297 flat angles C4'-P-C4' energy: -70.548 flat angles P-C4'-P energy: -49.427 tors. eta vs tors. theta energy: -95.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -843.542050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.542050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.542050 (E_RNA) where: Base-Base interactions energy: -513.027 where: short stacking energy: -235.963 Base-Backbone interact. energy: 0.404 local terms energy: -330.919207 where: bonds (distance) C4'-P energy: -70.070 bonds (distance) P-C4' energy: -77.017 flat angles C4'-P-C4' energy: -63.015 flat angles P-C4'-P energy: -54.992 tors. eta vs tors. theta energy: -65.825 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: 5 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -728.464897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.464897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.464897 (E_RNA) where: Base-Base interactions energy: -456.121 where: short stacking energy: -216.262 Base-Backbone interact. energy: 0.086 local terms energy: -272.430192 where: bonds (distance) C4'-P energy: -56.336 bonds (distance) P-C4' energy: -70.482 flat angles C4'-P-C4' energy: -74.599 flat angles P-C4'-P energy: -38.840 tors. eta vs tors. theta energy: -32.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -504.873237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.873237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.873237 (E_RNA) where: Base-Base interactions energy: -278.202 where: short stacking energy: -145.961 Base-Backbone interact. energy: -0.656 local terms energy: -226.014852 where: bonds (distance) C4'-P energy: -65.681 bonds (distance) P-C4' energy: -58.777 flat angles C4'-P-C4' energy: -59.683 flat angles P-C4'-P energy: -40.927 tors. eta vs tors. theta energy: -0.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -487.287875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.287875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.287875 (E_RNA) where: Base-Base interactions energy: -249.312 where: short stacking energy: -151.434 Base-Backbone interact. energy: 2.490 local terms energy: -240.465001 where: bonds (distance) C4'-P energy: -72.928 bonds (distance) P-C4' energy: -70.878 flat angles C4'-P-C4' energy: -52.680 flat angles P-C4'-P energy: -36.757 tors. eta vs tors. theta energy: -7.221 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: 1, replica: 3 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1369.099397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.099397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.099397 (E_RNA) where: Base-Base interactions energy: -940.077 where: short stacking energy: -387.678 Base-Backbone interact. energy: -0.864 local terms energy: -428.158754 where: bonds (distance) C4'-P energy: -81.049 bonds (distance) P-C4' energy: -84.418 flat angles C4'-P-C4' energy: -88.061 flat angles P-C4'-P energy: -62.100 tors. eta vs tors. theta energy: -112.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1334.733327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.733327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.733327 (E_RNA) where: Base-Base interactions energy: -940.679 where: short stacking energy: -361.914 Base-Backbone interact. energy: -2.339 local terms energy: -391.714881 where: bonds (distance) C4'-P energy: -78.220 bonds (distance) P-C4' energy: -75.616 flat angles C4'-P-C4' energy: -85.897 flat angles P-C4'-P energy: -54.116 tors. eta vs tors. theta energy: -97.865 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: 10 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1290.917349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.917349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.917349 (E_RNA) where: Base-Base interactions energy: -880.900 where: short stacking energy: -386.938 Base-Backbone interact. energy: -0.495 local terms energy: -409.522402 where: bonds (distance) C4'-P energy: -71.804 bonds (distance) P-C4' energy: -77.392 flat angles C4'-P-C4' energy: -82.806 flat angles P-C4'-P energy: -63.507 tors. eta vs tors. theta energy: -114.013 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: 9 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1222.554161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.554161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.554161 (E_RNA) where: Base-Base interactions energy: -835.808 where: short stacking energy: -366.021 Base-Backbone interact. energy: -1.060 local terms energy: -385.686340 where: bonds (distance) C4'-P energy: -61.817 bonds (distance) P-C4' energy: -76.809 flat angles C4'-P-C4' energy: -83.875 flat angles P-C4'-P energy: -51.998 tors. eta vs tors. theta energy: -111.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1152.185898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.185898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.185898 (E_RNA) where: Base-Base interactions energy: -787.062 where: short stacking energy: -363.756 Base-Backbone interact. energy: -1.552 local terms energy: -363.571311 where: bonds (distance) C4'-P energy: -65.249 bonds (distance) P-C4' energy: -66.818 flat angles C4'-P-C4' energy: -75.737 flat angles P-C4'-P energy: -55.897 tors. eta vs tors. theta energy: -99.870 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: 6 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1080.316464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.316464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.316464 (E_RNA) where: Base-Base interactions energy: -746.537 where: short stacking energy: -331.859 Base-Backbone interact. energy: 3.717 local terms energy: -337.496238 where: bonds (distance) C4'-P energy: -62.008 bonds (distance) P-C4' energy: -77.493 flat angles C4'-P-C4' energy: -71.971 flat angles P-C4'-P energy: -42.693 tors. eta vs tors. theta energy: -83.332 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: 7 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -824.233064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.233064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.233064 (E_RNA) where: Base-Base interactions energy: -536.016 where: short stacking energy: -244.728 Base-Backbone interact. energy: 5.503 local terms energy: -293.719984 where: bonds (distance) C4'-P energy: -63.538 bonds (distance) P-C4' energy: -65.049 flat angles C4'-P-C4' energy: -67.663 flat angles P-C4'-P energy: -51.541 tors. eta vs tors. theta energy: -45.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -705.351347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.351347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.351347 (E_RNA) where: Base-Base interactions energy: -433.341 where: short stacking energy: -209.065 Base-Backbone interact. energy: -0.811 local terms energy: -271.199085 where: bonds (distance) C4'-P energy: -70.893 bonds (distance) P-C4' energy: -68.889 flat angles C4'-P-C4' energy: -62.961 flat angles P-C4'-P energy: -39.541 tors. eta vs tors. theta energy: -28.914 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: 2 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -530.661992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.661992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.661992 (E_RNA) where: Base-Base interactions energy: -277.527 where: short stacking energy: -152.013 Base-Backbone interact. energy: 1.193 local terms energy: -254.327988 where: bonds (distance) C4'-P energy: -71.509 bonds (distance) P-C4' energy: -57.867 flat angles C4'-P-C4' energy: -79.478 flat angles P-C4'-P energy: -31.943 tors. eta vs tors. theta energy: -13.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -471.083623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.083623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.083623 (E_RNA) where: Base-Base interactions energy: -242.789 where: short stacking energy: -147.959 Base-Backbone interact. energy: 1.205 local terms energy: -229.499450 where: bonds (distance) C4'-P energy: -59.910 bonds (distance) P-C4' energy: -64.479 flat angles C4'-P-C4' energy: -61.457 flat angles P-C4'-P energy: -36.912 tors. eta vs tors. theta energy: -6.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1383.625679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.625679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.625679 (E_RNA) where: Base-Base interactions energy: -967.070 where: short stacking energy: -397.667 Base-Backbone interact. energy: -1.507 local terms energy: -415.049348 where: bonds (distance) C4'-P energy: -69.166 bonds (distance) P-C4' energy: -79.233 flat angles C4'-P-C4' energy: -91.127 flat angles P-C4'-P energy: -69.545 tors. eta vs tors. theta energy: -105.977 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: 8 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1334.390769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.390769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.390769 (E_RNA) where: Base-Base interactions energy: -943.863 where: short stacking energy: -371.894 Base-Backbone interact. energy: 6.921 local terms energy: -397.448408 where: bonds (distance) C4'-P energy: -66.984 bonds (distance) P-C4' energy: -83.566 flat angles C4'-P-C4' energy: -82.996 flat angles P-C4'-P energy: -61.577 tors. eta vs tors. theta energy: -102.326 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: 10 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1292.401341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.401341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.401341 (E_RNA) where: Base-Base interactions energy: -880.960 where: short stacking energy: -387.395 Base-Backbone interact. energy: 1.935 local terms energy: -413.376246 where: bonds (distance) C4'-P energy: -73.210 bonds (distance) P-C4' energy: -78.793 flat angles C4'-P-C4' energy: -89.980 flat angles P-C4'-P energy: -62.274 tors. eta vs tors. theta energy: -109.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1230.519756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.519756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.519756 (E_RNA) where: Base-Base interactions energy: -823.315 where: short stacking energy: -367.979 Base-Backbone interact. energy: -0.412 local terms energy: -406.792866 where: bonds (distance) C4'-P energy: -73.157 bonds (distance) P-C4' energy: -82.645 flat angles C4'-P-C4' energy: -88.160 flat angles P-C4'-P energy: -62.236 tors. eta vs tors. theta energy: -100.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1180.073601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.073601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.073601 (E_RNA) where: Base-Base interactions energy: -787.946 where: short stacking energy: -353.213 Base-Backbone interact. energy: -0.597 local terms energy: -391.530064 where: bonds (distance) C4'-P energy: -70.488 bonds (distance) P-C4' energy: -74.385 flat angles C4'-P-C4' energy: -87.667 flat angles P-C4'-P energy: -54.315 tors. eta vs tors. theta energy: -104.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1116.261364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.261364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.261364 (E_RNA) where: Base-Base interactions energy: -765.042 where: short stacking energy: -330.517 Base-Backbone interact. energy: -2.049 local terms energy: -349.169696 where: bonds (distance) C4'-P energy: -73.289 bonds (distance) P-C4' energy: -69.761 flat angles C4'-P-C4' energy: -72.273 flat angles P-C4'-P energy: -49.177 tors. eta vs tors. theta energy: -84.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -819.021686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.021686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.021686 (E_RNA) where: Base-Base interactions energy: -542.147 where: short stacking energy: -283.443 Base-Backbone interact. energy: -0.938 local terms energy: -275.936198 where: bonds (distance) C4'-P energy: -52.573 bonds (distance) P-C4' energy: -57.514 flat angles C4'-P-C4' energy: -69.153 flat angles P-C4'-P energy: -39.742 tors. eta vs tors. theta energy: -56.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -680.576107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.576107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.576107 (E_RNA) where: Base-Base interactions energy: -396.718 where: short stacking energy: -214.364 Base-Backbone interact. energy: -0.066 local terms energy: -283.792979 where: bonds (distance) C4'-P energy: -62.145 bonds (distance) P-C4' energy: -70.799 flat angles C4'-P-C4' energy: -61.641 flat angles P-C4'-P energy: -44.913 tors. eta vs tors. theta energy: -44.295 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: 9, replica: 2 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -557.972725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.972725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.972725 (E_RNA) where: Base-Base interactions energy: -300.421 where: short stacking energy: -177.866 Base-Backbone interact. energy: -0.750 local terms energy: -256.801259 where: bonds (distance) C4'-P energy: -73.906 bonds (distance) P-C4' energy: -68.196 flat angles C4'-P-C4' energy: -52.048 flat angles P-C4'-P energy: -34.648 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: 10, replica: 4 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -476.369347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.369347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.369347 (E_RNA) where: Base-Base interactions energy: -255.777 where: short stacking energy: -144.767 Base-Backbone interact. energy: -1.119 local terms energy: -219.473262 where: bonds (distance) C4'-P energy: -56.111 bonds (distance) P-C4' energy: -64.453 flat angles C4'-P-C4' energy: -59.426 flat angles P-C4'-P energy: -30.279 tors. eta vs tors. theta energy: -9.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1387.465616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.465616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.465616 (E_RNA) where: Base-Base interactions energy: -980.707 where: short stacking energy: -399.396 Base-Backbone interact. energy: -1.587 local terms energy: -405.171388 where: bonds (distance) C4'-P energy: -72.429 bonds (distance) P-C4' energy: -77.055 flat angles C4'-P-C4' energy: -88.242 flat angles P-C4'-P energy: -57.970 tors. eta vs tors. theta energy: -109.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1340.081019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.081019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.081019 (E_RNA) where: Base-Base interactions energy: -932.706 where: short stacking energy: -382.576 Base-Backbone interact. energy: -4.806 local terms energy: -402.568145 where: bonds (distance) C4'-P energy: -77.086 bonds (distance) P-C4' energy: -79.439 flat angles C4'-P-C4' energy: -78.001 flat angles P-C4'-P energy: -57.142 tors. eta vs tors. theta energy: -110.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1260.507087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.507087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.507087 (E_RNA) where: Base-Base interactions energy: -875.152 where: short stacking energy: -356.780 Base-Backbone interact. energy: -3.775 local terms energy: -381.580398 where: bonds (distance) C4'-P energy: -72.097 bonds (distance) P-C4' energy: -74.805 flat angles C4'-P-C4' energy: -76.505 flat angles P-C4'-P energy: -58.871 tors. eta vs tors. theta energy: -99.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1216.351021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.351021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.351021 (E_RNA) where: Base-Base interactions energy: -838.338 where: short stacking energy: -371.525 Base-Backbone interact. energy: -0.949 local terms energy: -377.063651 where: bonds (distance) C4'-P energy: -61.587 bonds (distance) P-C4' energy: -70.422 flat angles C4'-P-C4' energy: -82.771 flat angles P-C4'-P energy: -58.780 tors. eta vs tors. theta energy: -103.504 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: 1 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1088.248544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.248544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.248544 (E_RNA) where: Base-Base interactions energy: -739.386 where: short stacking energy: -325.054 Base-Backbone interact. energy: -1.300 local terms energy: -347.563021 where: bonds (distance) C4'-P energy: -58.017 bonds (distance) P-C4' energy: -70.242 flat angles C4'-P-C4' energy: -81.696 flat angles P-C4'-P energy: -50.519 tors. eta vs tors. theta energy: -87.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1119.344320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.344320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.344320 (E_RNA) where: Base-Base interactions energy: -755.710 where: short stacking energy: -339.723 Base-Backbone interact. energy: -1.847 local terms energy: -361.787665 where: bonds (distance) C4'-P energy: -66.910 bonds (distance) P-C4' energy: -69.753 flat angles C4'-P-C4' energy: -72.433 flat angles P-C4'-P energy: -54.814 tors. eta vs tors. theta energy: -97.878 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: 7 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -842.405024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.405024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.405024 (E_RNA) where: Base-Base interactions energy: -520.952 where: short stacking energy: -238.127 Base-Backbone interact. energy: -1.028 local terms energy: -320.425555 where: bonds (distance) C4'-P energy: -63.832 bonds (distance) P-C4' energy: -79.669 flat angles C4'-P-C4' energy: -63.578 flat angles P-C4'-P energy: -55.873 tors. eta vs tors. theta energy: -57.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -689.509864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.509864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.509864 (E_RNA) where: Base-Base interactions energy: -425.481 where: short stacking energy: -199.233 Base-Backbone interact. energy: -1.896 local terms energy: -262.132533 where: bonds (distance) C4'-P energy: -57.656 bonds (distance) P-C4' energy: -64.951 flat angles C4'-P-C4' energy: -64.391 flat angles P-C4'-P energy: -45.879 tors. eta vs tors. theta energy: -29.255 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: 2 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -520.410844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.410844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.410844 (E_RNA) where: Base-Base interactions energy: -267.048 where: short stacking energy: -154.266 Base-Backbone interact. energy: 4.762 local terms energy: -258.125011 where: bonds (distance) C4'-P energy: -58.717 bonds (distance) P-C4' energy: -75.468 flat angles C4'-P-C4' energy: -75.698 flat angles P-C4'-P energy: -31.049 tors. eta vs tors. theta energy: -17.192 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: 4 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -470.642986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.642986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.642986 (E_RNA) where: Base-Base interactions energy: -245.535 where: short stacking energy: -153.341 Base-Backbone interact. energy: -3.483 local terms energy: -221.624857 where: bonds (distance) C4'-P energy: -56.950 bonds (distance) P-C4' energy: -66.404 flat angles C4'-P-C4' energy: -58.221 flat angles P-C4'-P energy: -30.457 tors. eta vs tors. theta energy: -9.594 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: 1, replica: 8 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1363.689974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.689974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.689974 (E_RNA) where: Base-Base interactions energy: -965.353 where: short stacking energy: -395.681 Base-Backbone interact. energy: -3.308 local terms energy: -395.029150 where: bonds (distance) C4'-P energy: -66.102 bonds (distance) P-C4' energy: -81.030 flat angles C4'-P-C4' energy: -80.517 flat angles P-C4'-P energy: -65.193 tors. eta vs tors. theta energy: -102.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1335.705803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.705803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.705803 (E_RNA) where: Base-Base interactions energy: -938.581 where: short stacking energy: -376.511 Base-Backbone interact. energy: -3.237 local terms energy: -393.888001 where: bonds (distance) C4'-P energy: -73.355 bonds (distance) P-C4' energy: -62.267 flat angles C4'-P-C4' energy: -86.650 flat angles P-C4'-P energy: -58.545 tors. eta vs tors. theta energy: -113.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1263.908404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.908404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.908404 (E_RNA) where: Base-Base interactions energy: -854.846 where: short stacking energy: -372.022 Base-Backbone interact. energy: 0.352 local terms energy: -409.414571 where: bonds (distance) C4'-P energy: -79.896 bonds (distance) P-C4' energy: -80.930 flat angles C4'-P-C4' energy: -89.846 flat angles P-C4'-P energy: -60.144 tors. eta vs tors. theta energy: -98.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1258.990765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.990765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.990765 (E_RNA) where: Base-Base interactions energy: -886.955 where: short stacking energy: -377.335 Base-Backbone interact. energy: -1.881 local terms energy: -370.155553 where: bonds (distance) C4'-P energy: -61.552 bonds (distance) P-C4' energy: -60.992 flat angles C4'-P-C4' energy: -79.449 flat angles P-C4'-P energy: -62.022 tors. eta vs tors. theta energy: -106.140 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: 6 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1179.428721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.428721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.428721 (E_RNA) where: Base-Base interactions energy: -796.752 where: short stacking energy: -362.993 Base-Backbone interact. energy: -3.544 local terms energy: -379.131957 where: bonds (distance) C4'-P energy: -58.508 bonds (distance) P-C4' energy: -83.022 flat angles C4'-P-C4' energy: -72.478 flat angles P-C4'-P energy: -55.885 tors. eta vs tors. theta energy: -109.240 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: 1 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1043.067064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.067064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.067064 (E_RNA) where: Base-Base interactions energy: -700.810 where: short stacking energy: -329.026 Base-Backbone interact. energy: -0.466 local terms energy: -341.791632 where: bonds (distance) C4'-P energy: -66.222 bonds (distance) P-C4' energy: -61.206 flat angles C4'-P-C4' energy: -81.352 flat angles P-C4'-P energy: -44.553 tors. eta vs tors. theta energy: -88.458 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: 7 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -857.943023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.943023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.943023 (E_RNA) where: Base-Base interactions energy: -551.618 where: short stacking energy: -250.906 Base-Backbone interact. energy: -1.771 local terms energy: -304.553840 where: bonds (distance) C4'-P energy: -65.544 bonds (distance) P-C4' energy: -66.733 flat angles C4'-P-C4' energy: -67.205 flat angles P-C4'-P energy: -45.766 tors. eta vs tors. theta energy: -59.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -743.759788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.759788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.759788 (E_RNA) where: Base-Base interactions energy: -445.480 where: short stacking energy: -213.500 Base-Backbone interact. energy: 1.801 local terms energy: -300.080772 where: bonds (distance) C4'-P energy: -77.120 bonds (distance) P-C4' energy: -68.578 flat angles C4'-P-C4' energy: -69.532 flat angles P-C4'-P energy: -44.179 tors. eta vs tors. theta energy: -40.671 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: 9, replica: 2 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -528.236607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.236607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.236607 (E_RNA) where: Base-Base interactions energy: -288.118 where: short stacking energy: -139.293 Base-Backbone interact. energy: -1.946 local terms energy: -238.172016 where: bonds (distance) C4'-P energy: -61.887 bonds (distance) P-C4' energy: -61.491 flat angles C4'-P-C4' energy: -52.417 flat angles P-C4'-P energy: -39.028 tors. eta vs tors. theta energy: -23.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -471.766795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.766795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.766795 (E_RNA) where: Base-Base interactions energy: -239.435 where: short stacking energy: -136.780 Base-Backbone interact. energy: -2.364 local terms energy: -229.967675 where: bonds (distance) C4'-P energy: -59.049 bonds (distance) P-C4' energy: -71.565 flat angles C4'-P-C4' energy: -53.977 flat angles P-C4'-P energy: -43.161 tors. eta vs tors. theta energy: -2.216 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: 1, replica: 8 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1364.857329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.857329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.857329 (E_RNA) where: Base-Base interactions energy: -960.556 where: short stacking energy: -387.093 Base-Backbone interact. energy: -3.632 local terms energy: -400.669665 where: bonds (distance) C4'-P energy: -72.051 bonds (distance) P-C4' energy: -71.152 flat angles C4'-P-C4' energy: -87.831 flat angles P-C4'-P energy: -56.951 tors. eta vs tors. theta energy: -112.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1340.311974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.311974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.311974 (E_RNA) where: Base-Base interactions energy: -930.603 where: short stacking energy: -374.810 Base-Backbone interact. energy: -3.134 local terms energy: -406.574948 where: bonds (distance) C4'-P energy: -77.906 bonds (distance) P-C4' energy: -84.543 flat angles C4'-P-C4' energy: -87.222 flat angles P-C4'-P energy: -51.861 tors. eta vs tors. theta energy: -105.042 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: 10 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1278.074560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.074560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.074560 (E_RNA) where: Base-Base interactions energy: -884.872 where: short stacking energy: -378.346 Base-Backbone interact. energy: -2.084 local terms energy: -391.117870 where: bonds (distance) C4'-P energy: -69.548 bonds (distance) P-C4' energy: -73.624 flat angles C4'-P-C4' energy: -84.816 flat angles P-C4'-P energy: -55.830 tors. eta vs tors. theta energy: -107.300 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: 4, replica: 9 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1245.809716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.809716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.809716 (E_RNA) where: Base-Base interactions energy: -871.525 where: short stacking energy: -378.530 Base-Backbone interact. energy: -1.092 local terms energy: -373.193151 where: bonds (distance) C4'-P energy: -71.343 bonds (distance) P-C4' energy: -63.901 flat angles C4'-P-C4' energy: -74.735 flat angles P-C4'-P energy: -59.856 tors. eta vs tors. theta energy: -103.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1196.873907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.873907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.873907 (E_RNA) where: Base-Base interactions energy: -813.746 where: short stacking energy: -379.297 Base-Backbone interact. energy: -0.545 local terms energy: -382.583354 where: bonds (distance) C4'-P energy: -73.470 bonds (distance) P-C4' energy: -64.072 flat angles C4'-P-C4' energy: -86.378 flat angles P-C4'-P energy: -50.349 tors. eta vs tors. theta energy: -108.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1024.273423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.273423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.273423 (E_RNA) where: Base-Base interactions energy: -706.541 where: short stacking energy: -316.100 Base-Backbone interact. energy: 0.641 local terms energy: -318.373366 where: bonds (distance) C4'-P energy: -67.494 bonds (distance) P-C4' energy: -57.918 flat angles C4'-P-C4' energy: -71.221 flat angles P-C4'-P energy: -45.382 tors. eta vs tors. theta energy: -76.359 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: 7 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -868.700186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.700186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.700186 (E_RNA) where: Base-Base interactions energy: -540.884 where: short stacking energy: -248.519 Base-Backbone interact. energy: -0.838 local terms energy: -326.978540 where: bonds (distance) C4'-P energy: -62.463 bonds (distance) P-C4' energy: -71.679 flat angles C4'-P-C4' energy: -82.432 flat angles P-C4'-P energy: -46.908 tors. eta vs tors. theta energy: -63.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -703.796775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.796775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.796775 (E_RNA) where: Base-Base interactions energy: -405.477 where: short stacking energy: -203.965 Base-Backbone interact. energy: -0.519 local terms energy: -297.801166 where: bonds (distance) C4'-P energy: -60.525 bonds (distance) P-C4' energy: -74.671 flat angles C4'-P-C4' energy: -75.023 flat angles P-C4'-P energy: -46.164 tors. eta vs tors. theta energy: -41.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -541.908696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.908696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.908696 (E_RNA) where: Base-Base interactions energy: -298.720 where: short stacking energy: -170.637 Base-Backbone interact. energy: 0.299 local terms energy: -243.487628 where: bonds (distance) C4'-P energy: -53.272 bonds (distance) P-C4' energy: -67.403 flat angles C4'-P-C4' energy: -62.075 flat angles P-C4'-P energy: -42.586 tors. eta vs tors. theta energy: -18.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -465.276133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.276133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.276133 (E_RNA) where: Base-Base interactions energy: -254.222 where: short stacking energy: -148.488 Base-Backbone interact. energy: -1.737 local terms energy: -209.317227 where: bonds (distance) C4'-P energy: -61.369 bonds (distance) P-C4' energy: -66.714 flat angles C4'-P-C4' energy: -44.593 flat angles P-C4'-P energy: -30.080 tors. eta vs tors. theta energy: -6.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1377.856236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.856236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.856236 (E_RNA) where: Base-Base interactions energy: -960.815 where: short stacking energy: -377.566 Base-Backbone interact. energy: -2.850 local terms energy: -414.190871 where: bonds (distance) C4'-P energy: -83.577 bonds (distance) P-C4' energy: -79.732 flat angles C4'-P-C4' energy: -91.781 flat angles P-C4'-P energy: -63.593 tors. eta vs tors. theta energy: -95.509 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: 2, replica: 8 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1347.461601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.461601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.461601 (E_RNA) where: Base-Base interactions energy: -941.071 where: short stacking energy: -367.244 Base-Backbone interact. energy: -4.413 local terms energy: -401.977742 where: bonds (distance) C4'-P energy: -76.966 bonds (distance) P-C4' energy: -78.037 flat angles C4'-P-C4' energy: -88.102 flat angles P-C4'-P energy: -59.794 tors. eta vs tors. theta energy: -99.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1255.336690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.336690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.336690 (E_RNA) where: Base-Base interactions energy: -868.023 where: short stacking energy: -365.092 Base-Backbone interact. energy: -1.377 local terms energy: -385.936831 where: bonds (distance) C4'-P energy: -72.899 bonds (distance) P-C4' energy: -80.147 flat angles C4'-P-C4' energy: -79.778 flat angles P-C4'-P energy: -59.023 tors. eta vs tors. theta energy: -94.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1216.948750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.948750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.948750 (E_RNA) where: Base-Base interactions energy: -817.281 where: short stacking energy: -360.942 Base-Backbone interact. energy: 0.854 local terms energy: -400.521778 where: bonds (distance) C4'-P energy: -75.969 bonds (distance) P-C4' energy: -76.350 flat angles C4'-P-C4' energy: -90.849 flat angles P-C4'-P energy: -50.182 tors. eta vs tors. theta energy: -107.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1206.548000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.548000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.548000 (E_RNA) where: Base-Base interactions energy: -818.460 where: short stacking energy: -367.580 Base-Backbone interact. energy: -1.213 local terms energy: -386.875033 where: bonds (distance) C4'-P energy: -65.961 bonds (distance) P-C4' energy: -66.342 flat angles C4'-P-C4' energy: -86.602 flat angles P-C4'-P energy: -53.209 tors. eta vs tors. theta energy: -114.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1064.965865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.965865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.965865 (E_RNA) where: Base-Base interactions energy: -730.669 where: short stacking energy: -322.409 Base-Backbone interact. energy: -0.441 local terms energy: -333.855601 where: bonds (distance) C4'-P energy: -60.002 bonds (distance) P-C4' energy: -69.624 flat angles C4'-P-C4' energy: -65.314 flat angles P-C4'-P energy: -46.986 tors. eta vs tors. theta energy: -91.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -876.576952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.576952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.576952 (E_RNA) where: Base-Base interactions energy: -597.252 where: short stacking energy: -272.798 Base-Backbone interact. energy: 3.316 local terms energy: -282.640542 where: bonds (distance) C4'-P energy: -61.900 bonds (distance) P-C4' energy: -61.349 flat angles C4'-P-C4' energy: -58.586 flat angles P-C4'-P energy: -48.750 tors. eta vs tors. theta energy: -52.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -667.471833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.471833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.471833 (E_RNA) where: Base-Base interactions energy: -394.965 where: short stacking energy: -184.329 Base-Backbone interact. energy: -2.286 local terms energy: -270.221364 where: bonds (distance) C4'-P energy: -66.808 bonds (distance) P-C4' energy: -80.937 flat angles C4'-P-C4' energy: -62.392 flat angles P-C4'-P energy: -36.648 tors. eta vs tors. theta energy: -23.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -536.087370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.087370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.087370 (E_RNA) where: Base-Base interactions energy: -296.726 where: short stacking energy: -129.770 Base-Backbone interact. energy: 0.228 local terms energy: -239.589358 where: bonds (distance) C4'-P energy: -60.183 bonds (distance) P-C4' energy: -61.689 flat angles C4'-P-C4' energy: -72.740 flat angles P-C4'-P energy: -37.075 tors. eta vs tors. theta energy: -7.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -503.850451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.850451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.850451 (E_RNA) where: Base-Base interactions energy: -275.071 where: short stacking energy: -148.720 Base-Backbone interact. energy: -0.906 local terms energy: -227.874208 where: bonds (distance) C4'-P energy: -66.124 bonds (distance) P-C4' energy: -73.398 flat angles C4'-P-C4' energy: -56.831 flat angles P-C4'-P energy: -19.300 tors. eta vs tors. theta energy: -12.221 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: 1, replica: 3 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1386.429932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.429932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.429932 (E_RNA) where: Base-Base interactions energy: -954.291 where: short stacking energy: -399.914 Base-Backbone interact. energy: -3.006 local terms energy: -429.133309 where: bonds (distance) C4'-P energy: -85.612 bonds (distance) P-C4' energy: -80.850 flat angles C4'-P-C4' energy: -92.764 flat angles P-C4'-P energy: -66.551 tors. eta vs tors. theta energy: -103.355 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: 8 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1341.166630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.166630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.166630 (E_RNA) where: Base-Base interactions energy: -925.673 where: short stacking energy: -366.033 Base-Backbone interact. energy: -4.258 local terms energy: -411.235181 where: bonds (distance) C4'-P energy: -74.181 bonds (distance) P-C4' energy: -85.844 flat angles C4'-P-C4' energy: -88.683 flat angles P-C4'-P energy: -64.109 tors. eta vs tors. theta energy: -98.419 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: 9 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1259.839409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.839409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.839409 (E_RNA) where: Base-Base interactions energy: -857.737 where: short stacking energy: -385.548 Base-Backbone interact. energy: -0.726 local terms energy: -401.376944 where: bonds (distance) C4'-P energy: -85.414 bonds (distance) P-C4' energy: -77.074 flat angles C4'-P-C4' energy: -77.081 flat angles P-C4'-P energy: -53.776 tors. eta vs tors. theta energy: -108.032 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: 4, replica: 6 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1258.196844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.196844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.196844 (E_RNA) where: Base-Base interactions energy: -880.079 where: short stacking energy: -378.740 Base-Backbone interact. energy: 0.361 local terms energy: -378.479250 where: bonds (distance) C4'-P energy: -68.517 bonds (distance) P-C4' energy: -66.135 flat angles C4'-P-C4' energy: -80.099 flat angles P-C4'-P energy: -57.580 tors. eta vs tors. theta energy: -106.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1174.100787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.100787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.100787 (E_RNA) where: Base-Base interactions energy: -778.365 where: short stacking energy: -337.278 Base-Backbone interact. energy: -1.730 local terms energy: -394.005532 where: bonds (distance) C4'-P energy: -80.127 bonds (distance) P-C4' energy: -76.030 flat angles C4'-P-C4' energy: -77.738 flat angles P-C4'-P energy: -59.575 tors. eta vs tors. theta energy: -100.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -997.836361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.836361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.836361 (E_RNA) where: Base-Base interactions energy: -664.089 where: short stacking energy: -291.625 Base-Backbone interact. energy: 0.151 local terms energy: -333.898740 where: bonds (distance) C4'-P energy: -68.634 bonds (distance) P-C4' energy: -75.913 flat angles C4'-P-C4' energy: -71.684 flat angles P-C4'-P energy: -39.550 tors. eta vs tors. theta energy: -78.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -941.105719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.105719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.105719 (E_RNA) where: Base-Base interactions energy: -645.259 where: short stacking energy: -281.432 Base-Backbone interact. energy: -1.614 local terms energy: -294.232764 where: bonds (distance) C4'-P energy: -68.997 bonds (distance) P-C4' energy: -63.475 flat angles C4'-P-C4' energy: -64.302 flat angles P-C4'-P energy: -44.511 tors. eta vs tors. theta energy: -52.948 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: 5 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -666.085807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.085807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.085807 (E_RNA) where: Base-Base interactions energy: -412.305 where: short stacking energy: -203.400 Base-Backbone interact. energy: -2.539 local terms energy: -251.241889 where: bonds (distance) C4'-P energy: -54.408 bonds (distance) P-C4' energy: -65.854 flat angles C4'-P-C4' energy: -63.297 flat angles P-C4'-P energy: -49.617 tors. eta vs tors. theta energy: -18.066 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: 4 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -489.804509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.804509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.804509 (E_RNA) where: Base-Base interactions energy: -273.550 where: short stacking energy: -147.040 Base-Backbone interact. energy: -0.508 local terms energy: -215.746738 where: bonds (distance) C4'-P energy: -43.697 bonds (distance) P-C4' energy: -72.737 flat angles C4'-P-C4' energy: -56.531 flat angles P-C4'-P energy: -41.834 tors. eta vs tors. theta energy: -0.948 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: 10, replica: 2 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -520.517892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.517892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.517892 (E_RNA) where: Base-Base interactions energy: -280.760 where: short stacking energy: -157.782 Base-Backbone interact. energy: 0.098 local terms energy: -239.855250 where: bonds (distance) C4'-P energy: -55.610 bonds (distance) P-C4' energy: -80.731 flat angles C4'-P-C4' energy: -48.652 flat angles P-C4'-P energy: -41.897 tors. eta vs tors. theta energy: -12.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1381.361047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.361047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.361047 (E_RNA) where: Base-Base interactions energy: -965.829 where: short stacking energy: -393.778 Base-Backbone interact. energy: -1.809 local terms energy: -413.722787 where: bonds (distance) C4'-P energy: -75.056 bonds (distance) P-C4' energy: -84.952 flat angles C4'-P-C4' energy: -83.773 flat angles P-C4'-P energy: -65.867 tors. eta vs tors. theta energy: -104.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1327.470759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.470759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.470759 (E_RNA) where: Base-Base interactions energy: -917.852 where: short stacking energy: -382.940 Base-Backbone interact. energy: -4.417 local terms energy: -405.201219 where: bonds (distance) C4'-P energy: -77.525 bonds (distance) P-C4' energy: -65.754 flat angles C4'-P-C4' energy: -91.751 flat angles P-C4'-P energy: -62.406 tors. eta vs tors. theta energy: -107.765 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: 3, replica: 6 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1302.911098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.911098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.911098 (E_RNA) where: Base-Base interactions energy: -885.397 where: short stacking energy: -395.713 Base-Backbone interact. energy: 0.323 local terms energy: -417.836825 where: bonds (distance) C4'-P energy: -76.628 bonds (distance) P-C4' energy: -70.361 flat angles C4'-P-C4' energy: -92.085 flat angles P-C4'-P energy: -56.206 tors. eta vs tors. theta energy: -122.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1234.227820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.227820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.227820 (E_RNA) where: Base-Base interactions energy: -850.527 where: short stacking energy: -374.488 Base-Backbone interact. energy: 1.140 local terms energy: -384.840557 where: bonds (distance) C4'-P energy: -75.602 bonds (distance) P-C4' energy: -59.768 flat angles C4'-P-C4' energy: -84.695 flat angles P-C4'-P energy: -52.451 tors. eta vs tors. theta energy: -112.325 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: 10 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1221.023600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.023600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.023600 (E_RNA) where: Base-Base interactions energy: -843.540 where: short stacking energy: -351.962 Base-Backbone interact. energy: -2.282 local terms energy: -375.201984 where: bonds (distance) C4'-P energy: -70.681 bonds (distance) P-C4' energy: -76.475 flat angles C4'-P-C4' energy: -77.421 flat angles P-C4'-P energy: -51.399 tors. eta vs tors. theta energy: -99.226 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: 1 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1025.516432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.516432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.516432 (E_RNA) where: Base-Base interactions energy: -689.311 where: short stacking energy: -308.675 Base-Backbone interact. energy: 0.146 local terms energy: -336.351539 where: bonds (distance) C4'-P energy: -65.340 bonds (distance) P-C4' energy: -73.645 flat angles C4'-P-C4' energy: -71.548 flat angles P-C4'-P energy: -39.174 tors. eta vs tors. theta energy: -86.645 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: 7 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -893.686983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.686983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.686983 (E_RNA) where: Base-Base interactions energy: -606.982 where: short stacking energy: -273.357 Base-Backbone interact. energy: -0.630 local terms energy: -286.075259 where: bonds (distance) C4'-P energy: -64.905 bonds (distance) P-C4' energy: -51.569 flat angles C4'-P-C4' energy: -62.481 flat angles P-C4'-P energy: -47.384 tors. eta vs tors. theta energy: -59.736 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: 5 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -701.202958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.202958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.202958 (E_RNA) where: Base-Base interactions energy: -443.000 where: short stacking energy: -217.406 Base-Backbone interact. energy: -0.988 local terms energy: -257.215322 where: bonds (distance) C4'-P energy: -64.377 bonds (distance) P-C4' energy: -61.445 flat angles C4'-P-C4' energy: -70.339 flat angles P-C4'-P energy: -28.767 tors. eta vs tors. theta energy: -32.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -540.113299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.113299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.113299 (E_RNA) where: Base-Base interactions energy: -294.886 where: short stacking energy: -169.546 Base-Backbone interact. energy: 2.180 local terms energy: -247.408114 where: bonds (distance) C4'-P energy: -62.085 bonds (distance) P-C4' energy: -62.439 flat angles C4'-P-C4' energy: -67.548 flat angles P-C4'-P energy: -35.841 tors. eta vs tors. theta energy: -19.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -492.819946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.819946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.819946 (E_RNA) where: Base-Base interactions energy: -270.071 where: short stacking energy: -127.968 Base-Backbone interact. energy: -1.594 local terms energy: -221.155342 where: bonds (distance) C4'-P energy: -71.343 bonds (distance) P-C4' energy: -74.496 flat angles C4'-P-C4' energy: -58.454 flat angles P-C4'-P energy: -27.774 tors. eta vs tors. theta energy: 10.912 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: 3 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1416.229143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.229143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.229143 (E_RNA) where: Base-Base interactions energy: -1015.209 where: short stacking energy: -396.926 Base-Backbone interact. energy: -2.018 local terms energy: -399.002184 where: bonds (distance) C4'-P energy: -79.899 bonds (distance) P-C4' energy: -72.587 flat angles C4'-P-C4' energy: -80.714 flat angles P-C4'-P energy: -52.938 tors. eta vs tors. theta energy: -112.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1337.427043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.427043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.427043 (E_RNA) where: Base-Base interactions energy: -932.747 where: short stacking energy: -378.580 Base-Backbone interact. energy: -4.457 local terms energy: -400.223299 where: bonds (distance) C4'-P energy: -84.038 bonds (distance) P-C4' energy: -76.138 flat angles C4'-P-C4' energy: -82.375 flat angles P-C4'-P energy: -58.157 tors. eta vs tors. theta energy: -99.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1281.023537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.023537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.023537 (E_RNA) where: Base-Base interactions energy: -875.384 where: short stacking energy: -392.060 Base-Backbone interact. energy: -1.508 local terms energy: -404.131265 where: bonds (distance) C4'-P energy: -79.856 bonds (distance) P-C4' energy: -69.662 flat angles C4'-P-C4' energy: -83.937 flat angles P-C4'-P energy: -56.120 tors. eta vs tors. theta energy: -114.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1200.265715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.265715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.265715 (E_RNA) where: Base-Base interactions energy: -824.556 where: short stacking energy: -354.284 Base-Backbone interact. energy: -1.570 local terms energy: -374.139723 where: bonds (distance) C4'-P energy: -71.207 bonds (distance) P-C4' energy: -78.378 flat angles C4'-P-C4' energy: -68.182 flat angles P-C4'-P energy: -54.125 tors. eta vs tors. theta energy: -102.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1195.235805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.235805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.235805 (E_RNA) where: Base-Base interactions energy: -827.973 where: short stacking energy: -357.298 Base-Backbone interact. energy: -3.080 local terms energy: -364.183172 where: bonds (distance) C4'-P energy: -64.862 bonds (distance) P-C4' energy: -68.841 flat angles C4'-P-C4' energy: -86.209 flat angles P-C4'-P energy: -48.876 tors. eta vs tors. theta energy: -95.396 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: 1 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1025.861321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.861321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.861321 (E_RNA) where: Base-Base interactions energy: -671.771 where: short stacking energy: -327.940 Base-Backbone interact. energy: -2.172 local terms energy: -351.918226 where: bonds (distance) C4'-P energy: -65.255 bonds (distance) P-C4' energy: -67.150 flat angles C4'-P-C4' energy: -86.663 flat angles P-C4'-P energy: -43.299 tors. eta vs tors. theta energy: -89.551 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: 7 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -916.691896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.691896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.691896 (E_RNA) where: Base-Base interactions energy: -607.275 where: short stacking energy: -268.104 Base-Backbone interact. energy: -3.546 local terms energy: -305.870514 where: bonds (distance) C4'-P energy: -65.974 bonds (distance) P-C4' energy: -68.564 flat angles C4'-P-C4' energy: -79.687 flat angles P-C4'-P energy: -31.357 tors. eta vs tors. theta energy: -60.289 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: 5 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -729.711682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.711682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.711682 (E_RNA) where: Base-Base interactions energy: -407.875 where: short stacking energy: -205.699 Base-Backbone interact. energy: -0.202 local terms energy: -321.634794 where: bonds (distance) C4'-P energy: -64.457 bonds (distance) P-C4' energy: -80.145 flat angles C4'-P-C4' energy: -74.904 flat angles P-C4'-P energy: -54.249 tors. eta vs tors. theta energy: -47.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -547.023021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.023021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.023021 (E_RNA) where: Base-Base interactions energy: -289.050 where: short stacking energy: -146.331 Base-Backbone interact. energy: 0.637 local terms energy: -258.610678 where: bonds (distance) C4'-P energy: -64.611 bonds (distance) P-C4' energy: -72.334 flat angles C4'-P-C4' energy: -73.406 flat angles P-C4'-P energy: -37.271 tors. eta vs tors. theta energy: -10.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -474.906404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.906404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.906404 (E_RNA) where: Base-Base interactions energy: -232.566 where: short stacking energy: -135.012 Base-Backbone interact. energy: -0.855 local terms energy: -241.485139 where: bonds (distance) C4'-P energy: -72.383 bonds (distance) P-C4' energy: -65.529 flat angles C4'-P-C4' energy: -55.360 flat angles P-C4'-P energy: -36.320 tors. eta vs tors. theta energy: -11.894 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: 1, replica: 3 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1438.243433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.243433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.243433 (E_RNA) where: Base-Base interactions energy: -1003.867 where: short stacking energy: -404.407 Base-Backbone interact. energy: -1.909 local terms energy: -432.466822 where: bonds (distance) C4'-P energy: -87.450 bonds (distance) P-C4' energy: -85.338 flat angles C4'-P-C4' energy: -84.245 flat angles P-C4'-P energy: -64.033 tors. eta vs tors. theta energy: -111.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1349.141335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.141335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.141335 (E_RNA) where: Base-Base interactions energy: -958.761 where: short stacking energy: -380.338 Base-Backbone interact. energy: -2.343 local terms energy: -388.037154 where: bonds (distance) C4'-P energy: -78.797 bonds (distance) P-C4' energy: -66.109 flat angles C4'-P-C4' energy: -89.548 flat angles P-C4'-P energy: -54.362 tors. eta vs tors. theta energy: -99.221 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: 3, replica: 6 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1271.315253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.315253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.315253 (E_RNA) where: Base-Base interactions energy: -852.464 where: short stacking energy: -382.166 Base-Backbone interact. energy: -3.090 local terms energy: -415.761258 where: bonds (distance) C4'-P energy: -88.029 bonds (distance) P-C4' energy: -80.615 flat angles C4'-P-C4' energy: -85.590 flat angles P-C4'-P energy: -57.617 tors. eta vs tors. theta energy: -103.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1213.639614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.639614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.639614 (E_RNA) where: Base-Base interactions energy: -797.343 where: short stacking energy: -356.330 Base-Backbone interact. energy: -0.699 local terms energy: -415.597419 where: bonds (distance) C4'-P energy: -76.902 bonds (distance) P-C4' energy: -80.476 flat angles C4'-P-C4' energy: -91.644 flat angles P-C4'-P energy: -62.269 tors. eta vs tors. theta energy: -104.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1159.666259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.666259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.666259 (E_RNA) where: Base-Base interactions energy: -790.239 where: short stacking energy: -354.808 Base-Backbone interact. energy: -1.430 local terms energy: -367.997547 where: bonds (distance) C4'-P energy: -73.751 bonds (distance) P-C4' energy: -63.248 flat angles C4'-P-C4' energy: -72.671 flat angles P-C4'-P energy: -53.045 tors. eta vs tors. theta energy: -105.282 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: 1 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1017.743349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.743349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.743349 (E_RNA) where: Base-Base interactions energy: -681.172 where: short stacking energy: -317.736 Base-Backbone interact. energy: -2.251 local terms energy: -334.319946 where: bonds (distance) C4'-P energy: -63.018 bonds (distance) P-C4' energy: -73.272 flat angles C4'-P-C4' energy: -70.125 flat angles P-C4'-P energy: -45.670 tors. eta vs tors. theta energy: -82.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -901.919498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.919498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.919498 (E_RNA) where: Base-Base interactions energy: -587.431 where: short stacking energy: -265.691 Base-Backbone interact. energy: 1.849 local terms energy: -316.338049 where: bonds (distance) C4'-P energy: -75.718 bonds (distance) P-C4' energy: -78.730 flat angles C4'-P-C4' energy: -66.987 flat angles P-C4'-P energy: -34.284 tors. eta vs tors. theta energy: -60.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -716.621224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.621224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.621224 (E_RNA) where: Base-Base interactions energy: -445.049 where: short stacking energy: -235.738 Base-Backbone interact. energy: -2.621 local terms energy: -268.951060 where: bonds (distance) C4'-P energy: -62.994 bonds (distance) P-C4' energy: -56.740 flat angles C4'-P-C4' energy: -64.576 flat angles P-C4'-P energy: -40.075 tors. eta vs tors. theta energy: -44.566 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: 4 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -512.505796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.505796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.505796 (E_RNA) where: Base-Base interactions energy: -266.515 where: short stacking energy: -154.936 Base-Backbone interact. energy: -2.256 local terms energy: -243.735520 where: bonds (distance) C4'-P energy: -71.829 bonds (distance) P-C4' energy: -66.098 flat angles C4'-P-C4' energy: -53.599 flat angles P-C4'-P energy: -40.936 tors. eta vs tors. theta energy: -11.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -472.814046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.814046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.814046 (E_RNA) where: Base-Base interactions energy: -249.803 where: short stacking energy: -138.766 Base-Backbone interact. energy: -1.652 local terms energy: -221.359078 where: bonds (distance) C4'-P energy: -52.892 bonds (distance) P-C4' energy: -69.985 flat angles C4'-P-C4' energy: -60.194 flat angles P-C4'-P energy: -31.833 tors. eta vs tors. theta energy: -6.455 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: 3 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1415.513235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.513235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.513235 (E_RNA) where: Base-Base interactions energy: -979.937 where: short stacking energy: -413.280 Base-Backbone interact. energy: -2.959 local terms energy: -432.616547 where: bonds (distance) C4'-P energy: -79.931 bonds (distance) P-C4' energy: -85.237 flat angles C4'-P-C4' energy: -100.292 flat angles P-C4'-P energy: -56.683 tors. eta vs tors. theta energy: -110.474 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: 8 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1326.399008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.399008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.399008 (E_RNA) where: Base-Base interactions energy: -932.264 where: short stacking energy: -374.918 Base-Backbone interact. energy: -2.127 local terms energy: -392.008102 where: bonds (distance) C4'-P energy: -74.183 bonds (distance) P-C4' energy: -71.881 flat angles C4'-P-C4' energy: -87.741 flat angles P-C4'-P energy: -59.868 tors. eta vs tors. theta energy: -98.335 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: 6 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1242.435483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.435483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.435483 (E_RNA) where: Base-Base interactions energy: -853.497 where: short stacking energy: -400.657 Base-Backbone interact. energy: 0.664 local terms energy: -389.602908 where: bonds (distance) C4'-P energy: -69.687 bonds (distance) P-C4' energy: -82.159 flat angles C4'-P-C4' energy: -82.180 flat angles P-C4'-P energy: -47.374 tors. eta vs tors. theta energy: -108.202 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: 4, replica: 9 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1227.765141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.765141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.765141 (E_RNA) where: Base-Base interactions energy: -842.126 where: short stacking energy: -362.806 Base-Backbone interact. energy: 1.045 local terms energy: -386.683998 where: bonds (distance) C4'-P energy: -73.389 bonds (distance) P-C4' energy: -74.554 flat angles C4'-P-C4' energy: -83.602 flat angles P-C4'-P energy: -53.453 tors. eta vs tors. theta energy: -101.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1160.458666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.458666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.458666 (E_RNA) where: Base-Base interactions energy: -784.276 where: short stacking energy: -362.217 Base-Backbone interact. energy: 0.831 local terms energy: -377.014024 where: bonds (distance) C4'-P energy: -64.780 bonds (distance) P-C4' energy: -77.481 flat angles C4'-P-C4' energy: -82.153 flat angles P-C4'-P energy: -44.394 tors. eta vs tors. theta energy: -108.207 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: 1 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1042.094549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.094549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.094549 (E_RNA) where: Base-Base interactions energy: -713.296 where: short stacking energy: -317.298 Base-Backbone interact. energy: -0.187 local terms energy: -328.611544 where: bonds (distance) C4'-P energy: -56.026 bonds (distance) P-C4' energy: -68.726 flat angles C4'-P-C4' energy: -80.351 flat angles P-C4'-P energy: -36.623 tors. eta vs tors. theta energy: -86.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -817.777320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.777320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.777320 (E_RNA) where: Base-Base interactions energy: -535.808 where: short stacking energy: -260.132 Base-Backbone interact. energy: -0.052 local terms energy: -281.917834 where: bonds (distance) C4'-P energy: -67.993 bonds (distance) P-C4' energy: -66.959 flat angles C4'-P-C4' energy: -64.123 flat angles P-C4'-P energy: -37.879 tors. eta vs tors. theta energy: -44.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -660.864961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.864961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.864961 (E_RNA) where: Base-Base interactions energy: -412.826 where: short stacking energy: -187.872 Base-Backbone interact. energy: -0.373 local terms energy: -247.666037 where: bonds (distance) C4'-P energy: -56.659 bonds (distance) P-C4' energy: -69.589 flat angles C4'-P-C4' energy: -64.597 flat angles P-C4'-P energy: -28.842 tors. eta vs tors. theta energy: -27.980 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: 4 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -516.964907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.964907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.964907 (E_RNA) where: Base-Base interactions energy: -285.768 where: short stacking energy: -158.575 Base-Backbone interact. energy: 6.123 local terms energy: -237.319806 where: bonds (distance) C4'-P energy: -57.434 bonds (distance) P-C4' energy: -65.567 flat angles C4'-P-C4' energy: -56.268 flat angles P-C4'-P energy: -47.698 tors. eta vs tors. theta energy: -10.353 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: 2 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -473.515894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.515894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.515894 (E_RNA) where: Base-Base interactions energy: -243.163 where: short stacking energy: -130.900 Base-Backbone interact. energy: -2.642 local terms energy: -227.711111 where: bonds (distance) C4'-P energy: -78.394 bonds (distance) P-C4' energy: -55.727 flat angles C4'-P-C4' energy: -62.770 flat angles P-C4'-P energy: -29.045 tors. eta vs tors. theta energy: -1.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1404.972233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.972233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.972233 (E_RNA) where: Base-Base interactions energy: -976.039 where: short stacking energy: -398.403 Base-Backbone interact. energy: -4.074 local terms energy: -424.859146 where: bonds (distance) C4'-P energy: -79.756 bonds (distance) P-C4' energy: -81.431 flat angles C4'-P-C4' energy: -91.258 flat angles P-C4'-P energy: -65.384 tors. eta vs tors. theta energy: -107.032 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: 2, replica: 8 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1327.479284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.479284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.479284 (E_RNA) where: Base-Base interactions energy: -925.910 where: short stacking energy: -371.175 Base-Backbone interact. energy: -3.527 local terms energy: -398.041790 where: bonds (distance) C4'-P energy: -71.123 bonds (distance) P-C4' energy: -73.812 flat angles C4'-P-C4' energy: -87.663 flat angles P-C4'-P energy: -61.920 tors. eta vs tors. theta energy: -103.524 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: 6 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1266.522284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.522284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.522284 (E_RNA) where: Base-Base interactions energy: -869.302 where: short stacking energy: -396.782 Base-Backbone interact. energy: -0.506 local terms energy: -396.714487 where: bonds (distance) C4'-P energy: -73.780 bonds (distance) P-C4' energy: -71.340 flat angles C4'-P-C4' energy: -91.078 flat angles P-C4'-P energy: -51.795 tors. eta vs tors. theta energy: -108.721 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: 9 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1229.403609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.403609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.403609 (E_RNA) where: Base-Base interactions energy: -841.251 where: short stacking energy: -382.916 Base-Backbone interact. energy: -0.602 local terms energy: -387.551422 where: bonds (distance) C4'-P energy: -72.743 bonds (distance) P-C4' energy: -59.021 flat angles C4'-P-C4' energy: -86.225 flat angles P-C4'-P energy: -60.129 tors. eta vs tors. theta energy: -109.432 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: 5, replica: 10 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1149.822568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.822568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.822568 (E_RNA) where: Base-Base interactions energy: -761.834 where: short stacking energy: -338.776 Base-Backbone interact. energy: -0.561 local terms energy: -387.427113 where: bonds (distance) C4'-P energy: -65.976 bonds (distance) P-C4' energy: -78.549 flat angles C4'-P-C4' energy: -80.770 flat angles P-C4'-P energy: -69.065 tors. eta vs tors. theta energy: -93.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1064.146081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.146081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.146081 (E_RNA) where: Base-Base interactions energy: -699.208 where: short stacking energy: -311.869 Base-Backbone interact. energy: -1.648 local terms energy: -363.290908 where: bonds (distance) C4'-P energy: -69.192 bonds (distance) P-C4' energy: -77.761 flat angles C4'-P-C4' energy: -78.332 flat angles P-C4'-P energy: -47.040 tors. eta vs tors. theta energy: -90.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -872.668465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.668465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.668465 (E_RNA) where: Base-Base interactions energy: -551.103 where: short stacking energy: -249.595 Base-Backbone interact. energy: -2.168 local terms energy: -319.397581 where: bonds (distance) C4'-P energy: -79.750 bonds (distance) P-C4' energy: -60.588 flat angles C4'-P-C4' energy: -73.681 flat angles P-C4'-P energy: -50.145 tors. eta vs tors. theta energy: -55.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -687.581664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.581664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.581664 (E_RNA) where: Base-Base interactions energy: -400.305 where: short stacking energy: -200.421 Base-Backbone interact. energy: 4.271 local terms energy: -291.548323 where: bonds (distance) C4'-P energy: -70.901 bonds (distance) P-C4' energy: -86.007 flat angles C4'-P-C4' energy: -61.335 flat angles P-C4'-P energy: -35.174 tors. eta vs tors. theta energy: -38.132 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: 4 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -593.719544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.719544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.719544 (E_RNA) where: Base-Base interactions energy: -363.004 where: short stacking energy: -196.506 Base-Backbone interact. energy: -0.779 local terms energy: -229.936429 where: bonds (distance) C4'-P energy: -48.892 bonds (distance) P-C4' energy: -48.651 flat angles C4'-P-C4' energy: -70.706 flat angles P-C4'-P energy: -39.805 tors. eta vs tors. theta energy: -21.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -483.694461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.694461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.694461 (E_RNA) where: Base-Base interactions energy: -268.694 where: short stacking energy: -142.250 Base-Backbone interact. energy: 5.040 local terms energy: -220.040668 where: bonds (distance) C4'-P energy: -57.080 bonds (distance) P-C4' energy: -77.145 flat angles C4'-P-C4' energy: -41.804 flat angles P-C4'-P energy: -42.398 tors. eta vs tors. theta energy: -1.614 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: 3 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1389.120000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.120000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.120000 (E_RNA) where: Base-Base interactions energy: -948.157 where: short stacking energy: -392.227 Base-Backbone interact. energy: -3.116 local terms energy: -437.846974 where: bonds (distance) C4'-P energy: -84.643 bonds (distance) P-C4' energy: -85.674 flat angles C4'-P-C4' energy: -93.499 flat angles P-C4'-P energy: -61.363 tors. eta vs tors. theta energy: -112.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1322.916986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.916986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.916986 (E_RNA) where: Base-Base interactions energy: -919.045 where: short stacking energy: -359.152 Base-Backbone interact. energy: -3.596 local terms energy: -400.275352 where: bonds (distance) C4'-P energy: -77.223 bonds (distance) P-C4' energy: -81.261 flat angles C4'-P-C4' energy: -90.571 flat angles P-C4'-P energy: -54.801 tors. eta vs tors. theta energy: -96.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1256.366400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.366400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.366400 (E_RNA) where: Base-Base interactions energy: -861.250 where: short stacking energy: -378.527 Base-Backbone interact. energy: -0.684 local terms energy: -394.432170 where: bonds (distance) C4'-P energy: -84.055 bonds (distance) P-C4' energy: -77.492 flat angles C4'-P-C4' energy: -76.232 flat angles P-C4'-P energy: -52.173 tors. eta vs tors. theta energy: -104.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1249.289849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.289849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.289849 (E_RNA) where: Base-Base interactions energy: -855.241 where: short stacking energy: -390.449 Base-Backbone interact. energy: -1.654 local terms energy: -392.394873 where: bonds (distance) C4'-P energy: -63.000 bonds (distance) P-C4' energy: -83.343 flat angles C4'-P-C4' energy: -72.593 flat angles P-C4'-P energy: -57.422 tors. eta vs tors. theta energy: -116.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1155.261062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.261062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.261062 (E_RNA) where: Base-Base interactions energy: -792.488 where: short stacking energy: -346.117 Base-Backbone interact. energy: 1.656 local terms energy: -364.429176 where: bonds (distance) C4'-P energy: -62.295 bonds (distance) P-C4' energy: -71.301 flat angles C4'-P-C4' energy: -80.008 flat angles P-C4'-P energy: -53.460 tors. eta vs tors. theta energy: -97.365 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: 6, replica: 1 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1077.705666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.705666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.705666 (E_RNA) where: Base-Base interactions energy: -725.549 where: short stacking energy: -335.059 Base-Backbone interact. energy: -1.546 local terms energy: -350.610981 where: bonds (distance) C4'-P energy: -73.258 bonds (distance) P-C4' energy: -67.651 flat angles C4'-P-C4' energy: -77.856 flat angles P-C4'-P energy: -42.116 tors. eta vs tors. theta energy: -89.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -895.131658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.131658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.131658 (E_RNA) where: Base-Base interactions energy: -583.887 where: short stacking energy: -261.225 Base-Backbone interact. energy: -2.185 local terms energy: -309.059986 where: bonds (distance) C4'-P energy: -70.183 bonds (distance) P-C4' energy: -75.502 flat angles C4'-P-C4' energy: -65.154 flat angles P-C4'-P energy: -44.333 tors. eta vs tors. theta energy: -53.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -642.844169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.844169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.844169 (E_RNA) where: Base-Base interactions energy: -369.510 where: short stacking energy: -192.768 Base-Backbone interact. energy: -0.301 local terms energy: -273.033789 where: bonds (distance) C4'-P energy: -64.033 bonds (distance) P-C4' energy: -61.769 flat angles C4'-P-C4' energy: -59.547 flat angles P-C4'-P energy: -57.524 tors. eta vs tors. theta energy: -30.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -589.428200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.428200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.428200 (E_RNA) where: Base-Base interactions energy: -341.555 where: short stacking energy: -185.991 Base-Backbone interact. energy: 0.986 local terms energy: -248.858689 where: bonds (distance) C4'-P energy: -56.987 bonds (distance) P-C4' energy: -80.168 flat angles C4'-P-C4' energy: -57.365 flat angles P-C4'-P energy: -25.123 tors. eta vs tors. theta energy: -29.217 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: 10, replica: 2 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -459.627692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.627692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.627692 (E_RNA) where: Base-Base interactions energy: -216.914 where: short stacking energy: -128.381 Base-Backbone interact. energy: -2.219 local terms energy: -240.494274 where: bonds (distance) C4'-P energy: -61.981 bonds (distance) P-C4' energy: -71.629 flat angles C4'-P-C4' energy: -71.040 flat angles P-C4'-P energy: -35.320 tors. eta vs tors. theta energy: -0.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1392.658371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.658371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.658371 (E_RNA) where: Base-Base interactions energy: -959.263 where: short stacking energy: -400.351 Base-Backbone interact. energy: -1.048 local terms energy: -432.347404 where: bonds (distance) C4'-P energy: -85.887 bonds (distance) P-C4' energy: -85.706 flat angles C4'-P-C4' energy: -87.839 flat angles P-C4'-P energy: -58.831 tors. eta vs tors. theta energy: -114.084 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: 2, replica: 8 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1324.333461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.333461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.333461 (E_RNA) where: Base-Base interactions energy: -917.232 where: short stacking energy: -357.420 Base-Backbone interact. energy: -5.338 local terms energy: -401.763726 where: bonds (distance) C4'-P energy: -71.356 bonds (distance) P-C4' energy: -84.953 flat angles C4'-P-C4' energy: -88.547 flat angles P-C4'-P energy: -62.407 tors. eta vs tors. theta energy: -94.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1292.426923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.426923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.426923 (E_RNA) where: Base-Base interactions energy: -872.525 where: short stacking energy: -395.066 Base-Backbone interact. energy: -1.402 local terms energy: -418.499899 where: bonds (distance) C4'-P energy: -81.805 bonds (distance) P-C4' energy: -80.939 flat angles C4'-P-C4' energy: -86.833 flat angles P-C4'-P energy: -52.589 tors. eta vs tors. theta energy: -116.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1237.641782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.641782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.641782 (E_RNA) where: Base-Base interactions energy: -831.494 where: short stacking energy: -382.545 Base-Backbone interact. energy: -1.986 local terms energy: -404.162013 where: bonds (distance) C4'-P energy: -69.379 bonds (distance) P-C4' energy: -69.709 flat angles C4'-P-C4' energy: -86.637 flat angles P-C4'-P energy: -62.130 tors. eta vs tors. theta energy: -116.307 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: 10 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1188.273903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.273903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.273903 (E_RNA) where: Base-Base interactions energy: -797.699 where: short stacking energy: -359.562 Base-Backbone interact. energy: -4.858 local terms energy: -385.716447 where: bonds (distance) C4'-P energy: -79.059 bonds (distance) P-C4' energy: -76.090 flat angles C4'-P-C4' energy: -79.272 flat angles P-C4'-P energy: -45.880 tors. eta vs tors. theta energy: -105.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1078.540649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.540649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.540649 (E_RNA) where: Base-Base interactions energy: -720.151 where: short stacking energy: -327.835 Base-Backbone interact. energy: -1.592 local terms energy: -356.797811 where: bonds (distance) C4'-P energy: -65.114 bonds (distance) P-C4' energy: -74.667 flat angles C4'-P-C4' energy: -78.683 flat angles P-C4'-P energy: -46.520 tors. eta vs tors. theta energy: -91.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -919.927771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.927771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.927771 (E_RNA) where: Base-Base interactions energy: -596.880 where: short stacking energy: -285.352 Base-Backbone interact. energy: 5.064 local terms energy: -328.111397 where: bonds (distance) C4'-P energy: -75.197 bonds (distance) P-C4' energy: -71.547 flat angles C4'-P-C4' energy: -74.677 flat angles P-C4'-P energy: -45.322 tors. eta vs tors. theta energy: -61.368 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: 5 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -652.826070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.826070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.826070 (E_RNA) where: Base-Base interactions energy: -396.167 where: short stacking energy: -202.994 Base-Backbone interact. energy: 2.834 local terms energy: -259.493214 where: bonds (distance) C4'-P energy: -72.422 bonds (distance) P-C4' energy: -53.131 flat angles C4'-P-C4' energy: -65.185 flat angles P-C4'-P energy: -40.798 tors. eta vs tors. theta energy: -27.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -620.340286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.340286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.340286 (E_RNA) where: Base-Base interactions energy: -350.573 where: short stacking energy: -210.516 Base-Backbone interact. energy: -1.391 local terms energy: -268.376340 where: bonds (distance) C4'-P energy: -69.029 bonds (distance) P-C4' energy: -63.662 flat angles C4'-P-C4' energy: -66.816 flat angles P-C4'-P energy: -38.563 tors. eta vs tors. theta energy: -30.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -492.726571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.726571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.726571 (E_RNA) where: Base-Base interactions energy: -271.202 where: short stacking energy: -142.218 Base-Backbone interact. energy: 1.384 local terms energy: -222.908632 where: bonds (distance) C4'-P energy: -61.857 bonds (distance) P-C4' energy: -53.294 flat angles C4'-P-C4' energy: -49.100 flat angles P-C4'-P energy: -48.552 tors. eta vs tors. theta energy: -10.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1390.527092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.527092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.527092 (E_RNA) where: Base-Base interactions energy: -979.378 where: short stacking energy: -408.453 Base-Backbone interact. energy: -1.295 local terms energy: -409.854186 where: bonds (distance) C4'-P energy: -64.991 bonds (distance) P-C4' energy: -73.757 flat angles C4'-P-C4' energy: -93.203 flat angles P-C4'-P energy: -64.736 tors. eta vs tors. theta energy: -113.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1337.534440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.534440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.534440 (E_RNA) where: Base-Base interactions energy: -945.882 where: short stacking energy: -363.254 Base-Backbone interact. energy: -3.609 local terms energy: -388.044072 where: bonds (distance) C4'-P energy: -70.606 bonds (distance) P-C4' energy: -77.008 flat angles C4'-P-C4' energy: -88.045 flat angles P-C4'-P energy: -62.879 tors. eta vs tors. theta energy: -89.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1285.276066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.276066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.276066 (E_RNA) where: Base-Base interactions energy: -859.920 where: short stacking energy: -391.196 Base-Backbone interact. energy: -2.041 local terms energy: -423.314839 where: bonds (distance) C4'-P energy: -84.780 bonds (distance) P-C4' energy: -70.375 flat angles C4'-P-C4' energy: -82.144 flat angles P-C4'-P energy: -66.396 tors. eta vs tors. theta energy: -119.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1252.101594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.101594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.101594 (E_RNA) where: Base-Base interactions energy: -844.913 where: short stacking energy: -374.580 Base-Backbone interact. energy: 2.447 local terms energy: -409.635197 where: bonds (distance) C4'-P energy: -77.318 bonds (distance) P-C4' energy: -67.937 flat angles C4'-P-C4' energy: -91.889 flat angles P-C4'-P energy: -56.622 tors. eta vs tors. theta energy: -115.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1128.486992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.486992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.486992 (E_RNA) where: Base-Base interactions energy: -763.799 where: short stacking energy: -349.051 Base-Backbone interact. energy: -2.307 local terms energy: -362.381156 where: bonds (distance) C4'-P energy: -64.436 bonds (distance) P-C4' energy: -72.254 flat angles C4'-P-C4' energy: -83.055 flat angles P-C4'-P energy: -43.250 tors. eta vs tors. theta energy: -99.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1037.956399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.956399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.956399 (E_RNA) where: Base-Base interactions energy: -713.501 where: short stacking energy: -331.159 Base-Backbone interact. energy: -1.347 local terms energy: -323.108744 where: bonds (distance) C4'-P energy: -58.971 bonds (distance) P-C4' energy: -62.272 flat angles C4'-P-C4' energy: -55.927 flat angles P-C4'-P energy: -60.670 tors. eta vs tors. theta energy: -85.270 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: 7, replica: 7 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -874.228148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.228148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.228148 (E_RNA) where: Base-Base interactions energy: -584.322 where: short stacking energy: -270.991 Base-Backbone interact. energy: -1.012 local terms energy: -288.894041 where: bonds (distance) C4'-P energy: -50.318 bonds (distance) P-C4' energy: -73.352 flat angles C4'-P-C4' energy: -63.571 flat angles P-C4'-P energy: -48.757 tors. eta vs tors. theta energy: -52.896 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: 4 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -667.332785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.332785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.332785 (E_RNA) where: Base-Base interactions energy: -404.732 where: short stacking energy: -184.256 Base-Backbone interact. energy: -1.564 local terms energy: -261.037730 where: bonds (distance) C4'-P energy: -61.028 bonds (distance) P-C4' energy: -67.370 flat angles C4'-P-C4' energy: -71.937 flat angles P-C4'-P energy: -33.395 tors. eta vs tors. theta energy: -27.308 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: 5 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -589.764871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.764871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.764871 (E_RNA) where: Base-Base interactions energy: -353.010 where: short stacking energy: -176.463 Base-Backbone interact. energy: -1.883 local terms energy: -234.871685 where: bonds (distance) C4'-P energy: -66.543 bonds (distance) P-C4' energy: -56.939 flat angles C4'-P-C4' energy: -58.881 flat angles P-C4'-P energy: -28.150 tors. eta vs tors. theta energy: -24.358 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: 2 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -474.317379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.317379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.317379 (E_RNA) where: Base-Base interactions energy: -291.837 where: short stacking energy: -138.545 Base-Backbone interact. energy: 1.447 local terms energy: -183.927823 where: bonds (distance) C4'-P energy: -53.262 bonds (distance) P-C4' energy: -59.301 flat angles C4'-P-C4' energy: -54.723 flat angles P-C4'-P energy: -18.014 tors. eta vs tors. theta energy: 1.372 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: 3 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1408.546039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.546039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.546039 (E_RNA) where: Base-Base interactions energy: -987.828 where: short stacking energy: -394.042 Base-Backbone interact. energy: -1.608 local terms energy: -419.109252 where: bonds (distance) C4'-P energy: -78.254 bonds (distance) P-C4' energy: -76.701 flat angles C4'-P-C4' energy: -88.683 flat angles P-C4'-P energy: -63.594 tors. eta vs tors. theta energy: -111.877 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: 8 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1309.373704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.373704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.373704 (E_RNA) where: Base-Base interactions energy: -935.028 where: short stacking energy: -358.290 Base-Backbone interact. energy: -2.573 local terms energy: -371.772810 where: bonds (distance) C4'-P energy: -63.633 bonds (distance) P-C4' energy: -81.295 flat angles C4'-P-C4' energy: -85.942 flat angles P-C4'-P energy: -50.382 tors. eta vs tors. theta energy: -90.522 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: 9 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1268.683271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.683271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.683271 (E_RNA) where: Base-Base interactions energy: -860.272 where: short stacking energy: -400.044 Base-Backbone interact. energy: -0.436 local terms energy: -407.975411 where: bonds (distance) C4'-P energy: -72.491 bonds (distance) P-C4' energy: -68.221 flat angles C4'-P-C4' energy: -89.877 flat angles P-C4'-P energy: -59.961 tors. eta vs tors. theta energy: -117.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1181.657633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.657633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.657633 (E_RNA) where: Base-Base interactions energy: -808.744 where: short stacking energy: -364.065 Base-Backbone interact. energy: -0.488 local terms energy: -372.425436 where: bonds (distance) C4'-P energy: -68.153 bonds (distance) P-C4' energy: -77.730 flat angles C4'-P-C4' energy: -74.749 flat angles P-C4'-P energy: -57.268 tors. eta vs tors. theta energy: -94.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1144.946419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.946419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.946419 (E_RNA) where: Base-Base interactions energy: -758.529 where: short stacking energy: -348.630 Base-Backbone interact. energy: -0.998 local terms energy: -385.419272 where: bonds (distance) C4'-P energy: -74.097 bonds (distance) P-C4' energy: -71.637 flat angles C4'-P-C4' energy: -85.799 flat angles P-C4'-P energy: -53.341 tors. eta vs tors. theta energy: -100.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1052.866113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.866113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.866113 (E_RNA) where: Base-Base interactions energy: -712.349 where: short stacking energy: -313.890 Base-Backbone interact. energy: -1.139 local terms energy: -339.377709 where: bonds (distance) C4'-P energy: -67.107 bonds (distance) P-C4' energy: -71.700 flat angles C4'-P-C4' energy: -67.238 flat angles P-C4'-P energy: -55.581 tors. eta vs tors. theta energy: -77.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -893.472945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.472945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.472945 (E_RNA) where: Base-Base interactions energy: -572.024 where: short stacking energy: -252.545 Base-Backbone interact. energy: 3.247 local terms energy: -324.695911 where: bonds (distance) C4'-P energy: -63.297 bonds (distance) P-C4' energy: -76.742 flat angles C4'-P-C4' energy: -78.406 flat angles P-C4'-P energy: -55.278 tors. eta vs tors. theta energy: -50.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -668.454087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.454087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.454087 (E_RNA) where: Base-Base interactions energy: -411.577 where: short stacking energy: -192.240 Base-Backbone interact. energy: -2.385 local terms energy: -254.492508 where: bonds (distance) C4'-P energy: -53.259 bonds (distance) P-C4' energy: -75.491 flat angles C4'-P-C4' energy: -56.755 flat angles P-C4'-P energy: -53.215 tors. eta vs tors. theta energy: -15.772 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: 5 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -598.070839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.070839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.070839 (E_RNA) where: Base-Base interactions energy: -344.429 where: short stacking energy: -173.346 Base-Backbone interact. energy: 0.818 local terms energy: -254.459641 where: bonds (distance) C4'-P energy: -62.781 bonds (distance) P-C4' energy: -67.337 flat angles C4'-P-C4' energy: -68.279 flat angles P-C4'-P energy: -28.204 tors. eta vs tors. theta energy: -27.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -445.813940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.813940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.813940 (E_RNA) where: Base-Base interactions energy: -236.945 where: short stacking energy: -137.125 Base-Backbone interact. energy: 2.363 local terms energy: -211.232543 where: bonds (distance) C4'-P energy: -55.208 bonds (distance) P-C4' energy: -75.965 flat angles C4'-P-C4' energy: -47.628 flat angles P-C4'-P energy: -43.625 tors. eta vs tors. theta energy: 11.193 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: 1, replica: 3 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1397.412193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.412193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.412193 (E_RNA) where: Base-Base interactions energy: -981.276 where: short stacking energy: -394.439 Base-Backbone interact. energy: -0.472 local terms energy: -415.664030 where: bonds (distance) C4'-P energy: -82.501 bonds (distance) P-C4' energy: -77.510 flat angles C4'-P-C4' energy: -94.040 flat angles P-C4'-P energy: -56.775 tors. eta vs tors. theta energy: -104.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1327.512998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.512998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.512998 (E_RNA) where: Base-Base interactions energy: -949.655 where: short stacking energy: -374.949 Base-Backbone interact. energy: -4.680 local terms energy: -373.178397 where: bonds (distance) C4'-P energy: -71.672 bonds (distance) P-C4' energy: -69.082 flat angles C4'-P-C4' energy: -79.236 flat angles P-C4'-P energy: -55.778 tors. eta vs tors. theta energy: -97.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1295.070710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.070710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.070710 (E_RNA) where: Base-Base interactions energy: -900.909 where: short stacking energy: -387.513 Base-Backbone interact. energy: 0.489 local terms energy: -394.650293 where: bonds (distance) C4'-P energy: -76.547 bonds (distance) P-C4' energy: -62.524 flat angles C4'-P-C4' energy: -90.967 flat angles P-C4'-P energy: -56.707 tors. eta vs tors. theta energy: -107.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1202.967691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.967691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.967691 (E_RNA) where: Base-Base interactions energy: -802.305 where: short stacking energy: -356.670 Base-Backbone interact. energy: 0.026 local terms energy: -400.688069 where: bonds (distance) C4'-P energy: -69.578 bonds (distance) P-C4' energy: -80.567 flat angles C4'-P-C4' energy: -86.483 flat angles P-C4'-P energy: -59.462 tors. eta vs tors. theta energy: -104.598 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: 10 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1156.696965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.696965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.696965 (E_RNA) where: Base-Base interactions energy: -757.190 where: short stacking energy: -349.018 Base-Backbone interact. energy: -3.486 local terms energy: -396.021302 where: bonds (distance) C4'-P energy: -68.553 bonds (distance) P-C4' energy: -77.413 flat angles C4'-P-C4' energy: -87.878 flat angles P-C4'-P energy: -61.971 tors. eta vs tors. theta energy: -100.206 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: 6, replica: 1 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1002.109063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.109063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.109063 (E_RNA) where: Base-Base interactions energy: -682.119 where: short stacking energy: -306.738 Base-Backbone interact. energy: -0.686 local terms energy: -319.304169 where: bonds (distance) C4'-P energy: -75.092 bonds (distance) P-C4' energy: -59.631 flat angles C4'-P-C4' energy: -69.532 flat angles P-C4'-P energy: -39.125 tors. eta vs tors. theta energy: -75.923 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: 7 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -884.035114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.035114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.035114 (E_RNA) where: Base-Base interactions energy: -552.236 where: short stacking energy: -230.092 Base-Backbone interact. energy: -2.465 local terms energy: -329.334053 where: bonds (distance) C4'-P energy: -86.446 bonds (distance) P-C4' energy: -74.492 flat angles C4'-P-C4' energy: -69.361 flat angles P-C4'-P energy: -38.932 tors. eta vs tors. theta energy: -60.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -703.712310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.712310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.712310 (E_RNA) where: Base-Base interactions energy: -402.439 where: short stacking energy: -199.732 Base-Backbone interact. energy: -1.813 local terms energy: -299.460471 where: bonds (distance) C4'-P energy: -71.160 bonds (distance) P-C4' energy: -74.187 flat angles C4'-P-C4' energy: -71.521 flat angles P-C4'-P energy: -43.174 tors. eta vs tors. theta energy: -39.419 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: 5 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -611.253221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.253221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.253221 (E_RNA) where: Base-Base interactions energy: -341.025 where: short stacking energy: -184.883 Base-Backbone interact. energy: -0.126 local terms energy: -270.102965 where: bonds (distance) C4'-P energy: -73.734 bonds (distance) P-C4' energy: -71.994 flat angles C4'-P-C4' energy: -63.945 flat angles P-C4'-P energy: -29.063 tors. eta vs tors. theta energy: -31.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -452.251981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.251981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.251981 (E_RNA) where: Base-Base interactions energy: -215.069 where: short stacking energy: -118.639 Base-Backbone interact. energy: -0.918 local terms energy: -236.264918 where: bonds (distance) C4'-P energy: -71.566 bonds (distance) P-C4' energy: -67.738 flat angles C4'-P-C4' energy: -65.898 flat angles P-C4'-P energy: -34.188 tors. eta vs tors. theta energy: 3.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1385.168958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.168958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.168958 (E_RNA) where: Base-Base interactions energy: -982.848 where: short stacking energy: -415.565 Base-Backbone interact. energy: -2.210 local terms energy: -400.111357 where: bonds (distance) C4'-P energy: -70.002 bonds (distance) P-C4' energy: -75.718 flat angles C4'-P-C4' energy: -80.930 flat angles P-C4'-P energy: -63.376 tors. eta vs tors. theta energy: -110.084 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: 2, replica: 8 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1300.896590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.896590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.896590 (E_RNA) where: Base-Base interactions energy: -915.460 where: short stacking energy: -363.713 Base-Backbone interact. energy: -1.286 local terms energy: -384.151431 where: bonds (distance) C4'-P energy: -67.102 bonds (distance) P-C4' energy: -69.470 flat angles C4'-P-C4' energy: -91.992 flat angles P-C4'-P energy: -56.259 tors. eta vs tors. theta energy: -99.328 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: 3, replica: 9 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1307.536309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.536309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.536309 (E_RNA) where: Base-Base interactions energy: -909.793 where: short stacking energy: -386.266 Base-Backbone interact. energy: -3.503 local terms energy: -394.240857 where: bonds (distance) C4'-P energy: -72.715 bonds (distance) P-C4' energy: -74.987 flat angles C4'-P-C4' energy: -82.220 flat angles P-C4'-P energy: -54.258 tors. eta vs tors. theta energy: -110.061 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: 6 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1223.803335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.803335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.803335 (E_RNA) where: Base-Base interactions energy: -829.570 where: short stacking energy: -366.126 Base-Backbone interact. energy: -2.690 local terms energy: -391.543008 where: bonds (distance) C4'-P energy: -73.420 bonds (distance) P-C4' energy: -77.012 flat angles C4'-P-C4' energy: -84.127 flat angles P-C4'-P energy: -62.129 tors. eta vs tors. theta energy: -94.855 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: 10 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1153.369168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.369168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.369168 (E_RNA) where: Base-Base interactions energy: -766.262 where: short stacking energy: -338.659 Base-Backbone interact. energy: -2.278 local terms energy: -384.828935 where: bonds (distance) C4'-P energy: -75.417 bonds (distance) P-C4' energy: -68.894 flat angles C4'-P-C4' energy: -89.920 flat angles P-C4'-P energy: -48.535 tors. eta vs tors. theta energy: -102.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1022.434143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.434143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.434143 (E_RNA) where: Base-Base interactions energy: -694.105 where: short stacking energy: -297.079 Base-Backbone interact. energy: 2.002 local terms energy: -330.331543 where: bonds (distance) C4'-P energy: -54.796 bonds (distance) P-C4' energy: -64.394 flat angles C4'-P-C4' energy: -83.297 flat angles P-C4'-P energy: -53.997 tors. eta vs tors. theta energy: -73.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -866.802325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.802325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.802325 (E_RNA) where: Base-Base interactions energy: -566.236 where: short stacking energy: -250.266 Base-Backbone interact. energy: 6.081 local terms energy: -306.647232 where: bonds (distance) C4'-P energy: -59.605 bonds (distance) P-C4' energy: -69.086 flat angles C4'-P-C4' energy: -72.513 flat angles P-C4'-P energy: -51.994 tors. eta vs tors. theta energy: -53.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -692.276003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.276003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.276003 (E_RNA) where: Base-Base interactions energy: -407.272 where: short stacking energy: -214.714 Base-Backbone interact. energy: 1.714 local terms energy: -286.718052 where: bonds (distance) C4'-P energy: -63.485 bonds (distance) P-C4' energy: -68.923 flat angles C4'-P-C4' energy: -63.768 flat angles P-C4'-P energy: -50.257 tors. eta vs tors. theta energy: -40.283 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: 2 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -517.746783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.746783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.746783 (E_RNA) where: Base-Base interactions energy: -295.744 where: short stacking energy: -171.230 Base-Backbone interact. energy: -1.594 local terms energy: -220.409162 where: bonds (distance) C4'-P energy: -59.504 bonds (distance) P-C4' energy: -62.273 flat angles C4'-P-C4' energy: -48.819 flat angles P-C4'-P energy: -43.063 tors. eta vs tors. theta energy: -6.749 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: 10, replica: 5 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -566.624712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.624712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.624712 (E_RNA) where: Base-Base interactions energy: -321.232 where: short stacking energy: -172.920 Base-Backbone interact. energy: 0.011 local terms energy: -245.402929 where: bonds (distance) C4'-P energy: -63.788 bonds (distance) P-C4' energy: -70.269 flat angles C4'-P-C4' energy: -60.835 flat angles P-C4'-P energy: -36.962 tors. eta vs tors. theta energy: -13.548 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: 3 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1404.115629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.115629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.115629 (E_RNA) where: Base-Base interactions energy: -992.706 where: short stacking energy: -394.173 Base-Backbone interact. energy: -2.248 local terms energy: -409.160993 where: bonds (distance) C4'-P energy: -71.376 bonds (distance) P-C4' energy: -80.654 flat angles C4'-P-C4' energy: -89.496 flat angles P-C4'-P energy: -61.419 tors. eta vs tors. theta energy: -106.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1339.260807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.260807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.260807 (E_RNA) where: Base-Base interactions energy: -905.272 where: short stacking energy: -392.514 Base-Backbone interact. energy: -0.414 local terms energy: -433.574480 where: bonds (distance) C4'-P energy: -76.876 bonds (distance) P-C4' energy: -94.336 flat angles C4'-P-C4' energy: -91.049 flat angles P-C4'-P energy: -62.244 tors. eta vs tors. theta energy: -109.070 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: 8 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1278.804017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.804017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.804017 (E_RNA) where: Base-Base interactions energy: -894.285 where: short stacking energy: -361.476 Base-Backbone interact. energy: 0.348 local terms energy: -384.866955 where: bonds (distance) C4'-P energy: -77.235 bonds (distance) P-C4' energy: -70.045 flat angles C4'-P-C4' energy: -90.905 flat angles P-C4'-P energy: -53.422 tors. eta vs tors. theta energy: -93.259 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: 10 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1207.003701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.003701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.003701 (E_RNA) where: Base-Base interactions energy: -838.399 where: short stacking energy: -353.855 Base-Backbone interact. energy: -4.033 local terms energy: -364.571271 where: bonds (distance) C4'-P energy: -62.072 bonds (distance) P-C4' energy: -60.413 flat angles C4'-P-C4' energy: -86.583 flat angles P-C4'-P energy: -58.432 tors. eta vs tors. theta energy: -97.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1191.237370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.237370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.237370 (E_RNA) where: Base-Base interactions energy: -820.023 where: short stacking energy: -369.471 Base-Backbone interact. energy: -2.029 local terms energy: -369.185397 where: bonds (distance) C4'-P energy: -62.294 bonds (distance) P-C4' energy: -74.661 flat angles C4'-P-C4' energy: -78.616 flat angles P-C4'-P energy: -47.498 tors. eta vs tors. theta energy: -106.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1079.885927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.885927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.885927 (E_RNA) where: Base-Base interactions energy: -703.679 where: short stacking energy: -302.508 Base-Backbone interact. energy: -0.287 local terms energy: -375.919636 where: bonds (distance) C4'-P energy: -78.518 bonds (distance) P-C4' energy: -68.784 flat angles C4'-P-C4' energy: -78.783 flat angles P-C4'-P energy: -46.756 tors. eta vs tors. theta energy: -103.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -874.293693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.293693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.293693 (E_RNA) where: Base-Base interactions energy: -570.084 where: short stacking energy: -254.089 Base-Backbone interact. energy: 2.386 local terms energy: -306.595144 where: bonds (distance) C4'-P energy: -72.097 bonds (distance) P-C4' energy: -71.556 flat angles C4'-P-C4' energy: -69.964 flat angles P-C4'-P energy: -46.475 tors. eta vs tors. theta energy: -46.503 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: 8, replica: 4 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -690.256882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.256882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.256882 (E_RNA) where: Base-Base interactions energy: -384.011 where: short stacking energy: -190.289 Base-Backbone interact. energy: -0.816 local terms energy: -305.430077 where: bonds (distance) C4'-P energy: -69.371 bonds (distance) P-C4' energy: -70.590 flat angles C4'-P-C4' energy: -81.619 flat angles P-C4'-P energy: -50.636 tors. eta vs tors. theta energy: -33.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -534.181164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.181164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.181164 (E_RNA) where: Base-Base interactions energy: -276.886 where: short stacking energy: -142.331 Base-Backbone interact. energy: -0.131 local terms energy: -257.164134 where: bonds (distance) C4'-P energy: -79.390 bonds (distance) P-C4' energy: -67.077 flat angles C4'-P-C4' energy: -68.247 flat angles P-C4'-P energy: -38.096 tors. eta vs tors. theta energy: -4.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -561.919743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.919743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.919743 (E_RNA) where: Base-Base interactions energy: -305.698 where: short stacking energy: -145.491 Base-Backbone interact. energy: -0.432 local terms energy: -255.790592 where: bonds (distance) C4'-P energy: -50.960 bonds (distance) P-C4' energy: -78.351 flat angles C4'-P-C4' energy: -64.973 flat angles P-C4'-P energy: -42.405 tors. eta vs tors. theta energy: -19.102 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: 1, replica: 3 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1408.783459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.783459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.783459 (E_RNA) where: Base-Base interactions energy: -986.673 where: short stacking energy: -398.485 Base-Backbone interact. energy: -3.427 local terms energy: -418.683770 where: bonds (distance) C4'-P energy: -80.046 bonds (distance) P-C4' energy: -81.400 flat angles C4'-P-C4' energy: -89.998 flat angles P-C4'-P energy: -63.334 tors. eta vs tors. theta energy: -103.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1335.683623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.683623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.683623 (E_RNA) where: Base-Base interactions energy: -926.537 where: short stacking energy: -432.733 Base-Backbone interact. energy: -0.501 local terms energy: -408.646191 where: bonds (distance) C4'-P energy: -62.199 bonds (distance) P-C4' energy: -75.686 flat angles C4'-P-C4' energy: -92.671 flat angles P-C4'-P energy: -60.705 tors. eta vs tors. theta energy: -117.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1317.240688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.240688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.240688 (E_RNA) where: Base-Base interactions energy: -929.183 where: short stacking energy: -372.987 Base-Backbone interact. energy: -2.334 local terms energy: -385.723330 where: bonds (distance) C4'-P energy: -61.598 bonds (distance) P-C4' energy: -77.859 flat angles C4'-P-C4' energy: -87.674 flat angles P-C4'-P energy: -62.163 tors. eta vs tors. theta energy: -96.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1211.384072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.384072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.384072 (E_RNA) where: Base-Base interactions energy: -826.808 where: short stacking energy: -355.431 Base-Backbone interact. energy: -1.298 local terms energy: -383.278320 where: bonds (distance) C4'-P energy: -76.771 bonds (distance) P-C4' energy: -84.734 flat angles C4'-P-C4' energy: -84.642 flat angles P-C4'-P energy: -47.802 tors. eta vs tors. theta energy: -89.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1182.062403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.062403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.062403 (E_RNA) where: Base-Base interactions energy: -815.148 where: short stacking energy: -364.969 Base-Backbone interact. energy: -3.634 local terms energy: -363.280327 where: bonds (distance) C4'-P energy: -66.253 bonds (distance) P-C4' energy: -70.845 flat angles C4'-P-C4' energy: -72.911 flat angles P-C4'-P energy: -53.927 tors. eta vs tors. theta energy: -99.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1032.702379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.702379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.702379 (E_RNA) where: Base-Base interactions energy: -661.725 where: short stacking energy: -304.649 Base-Backbone interact. energy: -0.718 local terms energy: -370.259585 where: bonds (distance) C4'-P energy: -74.792 bonds (distance) P-C4' energy: -82.887 flat angles C4'-P-C4' energy: -81.160 flat angles P-C4'-P energy: -40.614 tors. eta vs tors. theta energy: -90.807 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: 7 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -828.079851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.079851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.079851 (E_RNA) where: Base-Base interactions energy: -536.278 where: short stacking energy: -255.133 Base-Backbone interact. energy: -2.393 local terms energy: -289.408306 where: bonds (distance) C4'-P energy: -65.764 bonds (distance) P-C4' energy: -69.453 flat angles C4'-P-C4' energy: -69.003 flat angles P-C4'-P energy: -40.771 tors. eta vs tors. theta energy: -44.418 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: 4 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -637.558811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.558811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.558811 (E_RNA) where: Base-Base interactions energy: -371.382 where: short stacking energy: -200.010 Base-Backbone interact. energy: -2.214 local terms energy: -263.962444 where: bonds (distance) C4'-P energy: -62.433 bonds (distance) P-C4' energy: -75.558 flat angles C4'-P-C4' energy: -62.113 flat angles P-C4'-P energy: -38.848 tors. eta vs tors. theta energy: -25.011 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: 2 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -520.989164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.989164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.989164 (E_RNA) where: Base-Base interactions energy: -297.566 where: short stacking energy: -154.310 Base-Backbone interact. energy: 2.628 local terms energy: -226.051698 where: bonds (distance) C4'-P energy: -50.899 bonds (distance) P-C4' energy: -67.985 flat angles C4'-P-C4' energy: -52.896 flat angles P-C4'-P energy: -38.101 tors. eta vs tors. theta energy: -16.171 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: 10, replica: 5 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -553.401902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.401902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.401902 (E_RNA) where: Base-Base interactions energy: -291.745 where: short stacking energy: -150.624 Base-Backbone interact. energy: 3.357 local terms energy: -265.013096 where: bonds (distance) C4'-P energy: -67.037 bonds (distance) P-C4' energy: -74.564 flat angles C4'-P-C4' energy: -58.569 flat angles P-C4'-P energy: -43.488 tors. eta vs tors. theta energy: -21.355 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: 1, replica: 3 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1390.962288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.962288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.962288 (E_RNA) where: Base-Base interactions energy: -967.917 where: short stacking energy: -389.457 Base-Backbone interact. energy: -4.040 local terms energy: -419.005185 where: bonds (distance) C4'-P energy: -80.267 bonds (distance) P-C4' energy: -79.070 flat angles C4'-P-C4' energy: -87.521 flat angles P-C4'-P energy: -68.473 tors. eta vs tors. theta energy: -103.674 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: 9 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1339.004859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.004859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.004859 (E_RNA) where: Base-Base interactions energy: -892.685 where: short stacking energy: -412.967 Base-Backbone interact. energy: -2.930 local terms energy: -443.390127 where: bonds (distance) C4'-P energy: -72.152 bonds (distance) P-C4' energy: -83.106 flat angles C4'-P-C4' energy: -99.288 flat angles P-C4'-P energy: -63.088 tors. eta vs tors. theta energy: -125.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1276.709446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.709446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.709446 (E_RNA) where: Base-Base interactions energy: -908.700 where: short stacking energy: -364.281 Base-Backbone interact. energy: -2.183 local terms energy: -365.826596 where: bonds (distance) C4'-P energy: -68.728 bonds (distance) P-C4' energy: -67.498 flat angles C4'-P-C4' energy: -84.742 flat angles P-C4'-P energy: -49.906 tors. eta vs tors. theta energy: -94.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1203.093564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.093564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.093564 (E_RNA) where: Base-Base interactions energy: -841.684 where: short stacking energy: -381.088 Base-Backbone interact. energy: -0.963 local terms energy: -360.446947 where: bonds (distance) C4'-P energy: -68.414 bonds (distance) P-C4' energy: -65.941 flat angles C4'-P-C4' energy: -81.937 flat angles P-C4'-P energy: -39.684 tors. eta vs tors. theta energy: -104.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1162.589861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.589861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.589861 (E_RNA) where: Base-Base interactions energy: -784.511 where: short stacking energy: -354.130 Base-Backbone interact. energy: 2.261 local terms energy: -380.340599 where: bonds (distance) C4'-P energy: -65.029 bonds (distance) P-C4' energy: -67.285 flat angles C4'-P-C4' energy: -85.245 flat angles P-C4'-P energy: -60.732 tors. eta vs tors. theta energy: -102.048 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: 1 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1036.439003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.439003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.439003 (E_RNA) where: Base-Base interactions energy: -695.450 where: short stacking energy: -310.026 Base-Backbone interact. energy: 0.546 local terms energy: -341.534954 where: bonds (distance) C4'-P energy: -72.838 bonds (distance) P-C4' energy: -61.214 flat angles C4'-P-C4' energy: -84.628 flat angles P-C4'-P energy: -47.208 tors. eta vs tors. theta energy: -75.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -804.626501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.626501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.626501 (E_RNA) where: Base-Base interactions energy: -510.758 where: short stacking energy: -246.881 Base-Backbone interact. energy: -0.629 local terms energy: -293.239012 where: bonds (distance) C4'-P energy: -64.638 bonds (distance) P-C4' energy: -71.728 flat angles C4'-P-C4' energy: -68.330 flat angles P-C4'-P energy: -44.971 tors. eta vs tors. theta energy: -43.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -530.856791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.856791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.856791 (E_RNA) where: Base-Base interactions energy: -284.245 where: short stacking energy: -124.276 Base-Backbone interact. energy: -0.594 local terms energy: -246.018115 where: bonds (distance) C4'-P energy: -73.975 bonds (distance) P-C4' energy: -61.075 flat angles C4'-P-C4' energy: -63.478 flat angles P-C4'-P energy: -37.698 tors. eta vs tors. theta energy: -9.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -561.548664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.548664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.548664 (E_RNA) where: Base-Base interactions energy: -315.961 where: short stacking energy: -155.471 Base-Backbone interact. energy: -1.813 local terms energy: -243.774395 where: bonds (distance) C4'-P energy: -58.850 bonds (distance) P-C4' energy: -65.249 flat angles C4'-P-C4' energy: -66.604 flat angles P-C4'-P energy: -42.422 tors. eta vs tors. theta energy: -10.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -582.293017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.293017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.293017 (E_RNA) where: Base-Base interactions energy: -349.277 where: short stacking energy: -167.024 Base-Backbone interact. energy: 7.587 local terms energy: -240.603504 where: bonds (distance) C4'-P energy: -62.527 bonds (distance) P-C4' energy: -50.619 flat angles C4'-P-C4' energy: -60.275 flat angles P-C4'-P energy: -38.856 tors. eta vs tors. theta energy: -28.326 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: 1, replica: 3 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1405.961975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.961975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.961975 (E_RNA) where: Base-Base interactions energy: -983.254 where: short stacking energy: -390.737 Base-Backbone interact. energy: -3.917 local terms energy: -418.790863 where: bonds (distance) C4'-P energy: -81.583 bonds (distance) P-C4' energy: -82.541 flat angles C4'-P-C4' energy: -80.606 flat angles P-C4'-P energy: -69.837 tors. eta vs tors. theta energy: -104.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1312.523733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.523733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.523733 (E_RNA) where: Base-Base interactions energy: -890.373 where: short stacking energy: -386.894 Base-Backbone interact. energy: -0.603 local terms energy: -421.547585 where: bonds (distance) C4'-P energy: -77.489 bonds (distance) P-C4' energy: -70.706 flat angles C4'-P-C4' energy: -95.944 flat angles P-C4'-P energy: -53.741 tors. eta vs tors. theta energy: -123.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1293.368523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.368523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.368523 (E_RNA) where: Base-Base interactions energy: -924.947 where: short stacking energy: -372.772 Base-Backbone interact. energy: -2.937 local terms energy: -365.484855 where: bonds (distance) C4'-P energy: -64.443 bonds (distance) P-C4' energy: -71.826 flat angles C4'-P-C4' energy: -82.439 flat angles P-C4'-P energy: -50.618 tors. eta vs tors. theta energy: -96.159 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: 10 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1200.303975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.303975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.303975 (E_RNA) where: Base-Base interactions energy: -806.761 where: short stacking energy: -365.587 Base-Backbone interact. energy: -1.886 local terms energy: -391.657658 where: bonds (distance) C4'-P energy: -75.397 bonds (distance) P-C4' energy: -72.659 flat angles C4'-P-C4' energy: -84.095 flat angles P-C4'-P energy: -58.980 tors. eta vs tors. theta energy: -100.526 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: 6 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1188.879611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.879611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.879611 (E_RNA) where: Base-Base interactions energy: -818.255 where: short stacking energy: -361.420 Base-Backbone interact. energy: 0.786 local terms energy: -371.410377 where: bonds (distance) C4'-P energy: -71.058 bonds (distance) P-C4' energy: -76.501 flat angles C4'-P-C4' energy: -72.276 flat angles P-C4'-P energy: -52.742 tors. eta vs tors. theta energy: -98.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -977.178947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.178947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.178947 (E_RNA) where: Base-Base interactions energy: -636.396 where: short stacking energy: -282.480 Base-Backbone interact. energy: -3.124 local terms energy: -337.659239 where: bonds (distance) C4'-P energy: -63.035 bonds (distance) P-C4' energy: -70.372 flat angles C4'-P-C4' energy: -76.193 flat angles P-C4'-P energy: -51.220 tors. eta vs tors. theta energy: -76.839 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: 7 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -805.726914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.726914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.726914 (E_RNA) where: Base-Base interactions energy: -502.765 where: short stacking energy: -231.540 Base-Backbone interact. energy: -1.695 local terms energy: -301.266498 where: bonds (distance) C4'-P energy: -82.984 bonds (distance) P-C4' energy: -72.992 flat angles C4'-P-C4' energy: -65.848 flat angles P-C4'-P energy: -33.668 tors. eta vs tors. theta energy: -45.775 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: 2 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -568.753369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.753369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.753369 (E_RNA) where: Base-Base interactions energy: -295.375 where: short stacking energy: -141.531 Base-Backbone interact. energy: -2.254 local terms energy: -271.124446 where: bonds (distance) C4'-P energy: -69.297 bonds (distance) P-C4' energy: -74.393 flat angles C4'-P-C4' energy: -70.893 flat angles P-C4'-P energy: -37.595 tors. eta vs tors. theta energy: -18.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -675.807189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.807189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.807189 (E_RNA) where: Base-Base interactions energy: -394.603 where: short stacking energy: -183.169 Base-Backbone interact. energy: -0.369 local terms energy: -280.835267 where: bonds (distance) C4'-P energy: -75.387 bonds (distance) P-C4' energy: -67.331 flat angles C4'-P-C4' energy: -65.849 flat angles P-C4'-P energy: -40.344 tors. eta vs tors. theta energy: -31.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -566.340489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.340489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.340489 (E_RNA) where: Base-Base interactions energy: -332.724 where: short stacking energy: -171.062 Base-Backbone interact. energy: 0.947 local terms energy: -234.564167 where: bonds (distance) C4'-P energy: -83.540 bonds (distance) P-C4' energy: -58.704 flat angles C4'-P-C4' energy: -63.822 flat angles P-C4'-P energy: -19.605 tors. eta vs tors. theta energy: -8.893 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: 3 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1404.674043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.674043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.674043 (E_RNA) where: Base-Base interactions energy: -998.206 where: short stacking energy: -393.118 Base-Backbone interact. energy: -4.279 local terms energy: -402.188534 where: bonds (distance) C4'-P energy: -81.203 bonds (distance) P-C4' energy: -72.589 flat angles C4'-P-C4' energy: -84.915 flat angles P-C4'-P energy: -59.658 tors. eta vs tors. theta energy: -103.823 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: 9 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1346.642525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.642525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.642525 (E_RNA) where: Base-Base interactions energy: -913.799 where: short stacking energy: -408.331 Base-Backbone interact. energy: -0.350 local terms energy: -432.493278 where: bonds (distance) C4'-P energy: -80.561 bonds (distance) P-C4' energy: -80.726 flat angles C4'-P-C4' energy: -87.828 flat angles P-C4'-P energy: -56.490 tors. eta vs tors. theta energy: -126.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1293.668898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.668898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.668898 (E_RNA) where: Base-Base interactions energy: -911.904 where: short stacking energy: -362.446 Base-Backbone interact. energy: -3.231 local terms energy: -378.534287 where: bonds (distance) C4'-P energy: -77.765 bonds (distance) P-C4' energy: -79.457 flat angles C4'-P-C4' energy: -80.365 flat angles P-C4'-P energy: -50.714 tors. eta vs tors. theta energy: -90.233 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: 4, replica: 6 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1230.635658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.635658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.635658 (E_RNA) where: Base-Base interactions energy: -834.587 where: short stacking energy: -368.032 Base-Backbone interact. energy: -1.257 local terms energy: -394.791034 where: bonds (distance) C4'-P energy: -72.547 bonds (distance) P-C4' energy: -80.178 flat angles C4'-P-C4' energy: -81.955 flat angles P-C4'-P energy: -57.572 tors. eta vs tors. theta energy: -102.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1223.576832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.576832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.576832 (E_RNA) where: Base-Base interactions energy: -829.416 where: short stacking energy: -344.359 Base-Backbone interact. energy: -1.384 local terms energy: -392.776373 where: bonds (distance) C4'-P energy: -64.564 bonds (distance) P-C4' energy: -81.361 flat angles C4'-P-C4' energy: -83.370 flat angles P-C4'-P energy: -58.835 tors. eta vs tors. theta energy: -104.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -936.541075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.541075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.541075 (E_RNA) where: Base-Base interactions energy: -616.071 where: short stacking energy: -313.620 Base-Backbone interact. energy: 0.098 local terms energy: -320.567707 where: bonds (distance) C4'-P energy: -64.547 bonds (distance) P-C4' energy: -68.378 flat angles C4'-P-C4' energy: -72.074 flat angles P-C4'-P energy: -45.663 tors. eta vs tors. theta energy: -69.906 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: 7 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -867.289164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.289164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.289164 (E_RNA) where: Base-Base interactions energy: -561.539 where: short stacking energy: -254.229 Base-Backbone interact. energy: -1.358 local terms energy: -304.392497 where: bonds (distance) C4'-P energy: -59.612 bonds (distance) P-C4' energy: -71.487 flat angles C4'-P-C4' energy: -69.701 flat angles P-C4'-P energy: -56.560 tors. eta vs tors. theta energy: -47.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -645.314787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.314787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.314787 (E_RNA) where: Base-Base interactions energy: -364.351 where: short stacking energy: -209.002 Base-Backbone interact. energy: -1.290 local terms energy: -279.673077 where: bonds (distance) C4'-P energy: -61.711 bonds (distance) P-C4' energy: -71.564 flat angles C4'-P-C4' energy: -59.946 flat angles P-C4'-P energy: -55.284 tors. eta vs tors. theta energy: -31.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -517.240774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.240774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.240774 (E_RNA) where: Base-Base interactions energy: -266.569 where: short stacking energy: -147.246 Base-Backbone interact. energy: -1.699 local terms energy: -248.972246 where: bonds (distance) C4'-P energy: -53.955 bonds (distance) P-C4' energy: -71.960 flat angles C4'-P-C4' energy: -67.663 flat angles P-C4'-P energy: -33.243 tors. eta vs tors. theta energy: -22.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -530.253440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.253440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.253440 (E_RNA) where: Base-Base interactions energy: -287.614 where: short stacking energy: -149.934 Base-Backbone interact. energy: -2.222 local terms energy: -240.417322 where: bonds (distance) C4'-P energy: -53.772 bonds (distance) P-C4' energy: -75.762 flat angles C4'-P-C4' energy: -63.058 flat angles P-C4'-P energy: -41.558 tors. eta vs tors. theta energy: -6.266 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: 3 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1363.362851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.362851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.362851 (E_RNA) where: Base-Base interactions energy: -960.170 where: short stacking energy: -382.923 Base-Backbone interact. energy: 1.914 local terms energy: -405.106969 where: bonds (distance) C4'-P energy: -75.322 bonds (distance) P-C4' energy: -79.713 flat angles C4'-P-C4' energy: -78.923 flat angles P-C4'-P energy: -62.728 tors. eta vs tors. theta energy: -108.420 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: 9 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1331.891185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.891185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.891185 (E_RNA) where: Base-Base interactions energy: -901.496 where: short stacking energy: -408.363 Base-Backbone interact. energy: -2.106 local terms energy: -428.288772 where: bonds (distance) C4'-P energy: -81.630 bonds (distance) P-C4' energy: -79.701 flat angles C4'-P-C4' energy: -91.374 flat angles P-C4'-P energy: -49.860 tors. eta vs tors. theta energy: -125.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1270.913153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.913153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.913153 (E_RNA) where: Base-Base interactions energy: -873.327 where: short stacking energy: -370.137 Base-Backbone interact. energy: -0.358 local terms energy: -397.228462 where: bonds (distance) C4'-P energy: -74.406 bonds (distance) P-C4' energy: -79.707 flat angles C4'-P-C4' energy: -90.217 flat angles P-C4'-P energy: -54.252 tors. eta vs tors. theta energy: -98.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1215.580910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.580910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.580910 (E_RNA) where: Base-Base interactions energy: -850.619 where: short stacking energy: -352.973 Base-Backbone interact. energy: -2.377 local terms energy: -362.584984 where: bonds (distance) C4'-P energy: -77.646 bonds (distance) P-C4' energy: -59.196 flat angles C4'-P-C4' energy: -78.753 flat angles P-C4'-P energy: -51.539 tors. eta vs tors. theta energy: -95.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1185.170072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.170072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.170072 (E_RNA) where: Base-Base interactions energy: -808.397 where: short stacking energy: -352.333 Base-Backbone interact. energy: -0.493 local terms energy: -376.280704 where: bonds (distance) C4'-P energy: -68.470 bonds (distance) P-C4' energy: -75.346 flat angles C4'-P-C4' energy: -77.250 flat angles P-C4'-P energy: -52.881 tors. eta vs tors. theta energy: -102.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -943.713459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.713459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.713459 (E_RNA) where: Base-Base interactions energy: -606.379 where: short stacking energy: -283.985 Base-Backbone interact. energy: 0.137 local terms energy: -337.470774 where: bonds (distance) C4'-P energy: -72.822 bonds (distance) P-C4' energy: -74.707 flat angles C4'-P-C4' energy: -79.591 flat angles P-C4'-P energy: -48.257 tors. eta vs tors. theta energy: -62.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -878.674280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.674280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.674280 (E_RNA) where: Base-Base interactions energy: -570.815 where: short stacking energy: -260.277 Base-Backbone interact. energy: 4.854 local terms energy: -312.712959 where: bonds (distance) C4'-P energy: -65.014 bonds (distance) P-C4' energy: -65.180 flat angles C4'-P-C4' energy: -70.787 flat angles P-C4'-P energy: -55.272 tors. eta vs tors. theta energy: -56.460 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: 5 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -628.456991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.456991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.456991 (E_RNA) where: Base-Base interactions energy: -344.127 where: short stacking energy: -175.457 Base-Backbone interact. energy: -4.813 local terms energy: -279.517710 where: bonds (distance) C4'-P energy: -67.225 bonds (distance) P-C4' energy: -74.428 flat angles C4'-P-C4' energy: -75.051 flat angles P-C4'-P energy: -34.303 tors. eta vs tors. theta energy: -28.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -572.338087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.338087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.338087 (E_RNA) where: Base-Base interactions energy: -318.503 where: short stacking energy: -178.582 Base-Backbone interact. energy: 1.391 local terms energy: -255.226653 where: bonds (distance) C4'-P energy: -64.925 bonds (distance) P-C4' energy: -64.981 flat angles C4'-P-C4' energy: -63.758 flat angles P-C4'-P energy: -31.174 tors. eta vs tors. theta energy: -30.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -507.082619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.082619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.082619 (E_RNA) where: Base-Base interactions energy: -275.157 where: short stacking energy: -144.023 Base-Backbone interact. energy: 0.575 local terms energy: -232.501028 where: bonds (distance) C4'-P energy: -63.610 bonds (distance) P-C4' energy: -76.824 flat angles C4'-P-C4' energy: -58.626 flat angles P-C4'-P energy: -29.493 tors. eta vs tors. theta energy: -3.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1376.920479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.920479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.920479 (E_RNA) where: Base-Base interactions energy: -959.091 where: short stacking energy: -385.977 Base-Backbone interact. energy: -2.946 local terms energy: -414.883424 where: bonds (distance) C4'-P energy: -72.924 bonds (distance) P-C4' energy: -88.037 flat angles C4'-P-C4' energy: -91.522 flat angles P-C4'-P energy: -58.589 tors. eta vs tors. theta energy: -103.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1320.319803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.319803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.319803 (E_RNA) where: Base-Base interactions energy: -922.724 where: short stacking energy: -406.233 Base-Backbone interact. energy: -1.844 local terms energy: -395.751901 where: bonds (distance) C4'-P energy: -72.375 bonds (distance) P-C4' energy: -72.913 flat angles C4'-P-C4' energy: -89.149 flat angles P-C4'-P energy: -45.557 tors. eta vs tors. theta energy: -115.757 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: 6 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1263.019422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.019422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.019422 (E_RNA) where: Base-Base interactions energy: -856.292 where: short stacking energy: -353.654 Base-Backbone interact. energy: -0.825 local terms energy: -405.903273 where: bonds (distance) C4'-P energy: -85.565 bonds (distance) P-C4' energy: -73.480 flat angles C4'-P-C4' energy: -83.508 flat angles P-C4'-P energy: -51.558 tors. eta vs tors. theta energy: -111.792 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: 10 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1243.935710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.935710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.935710 (E_RNA) where: Base-Base interactions energy: -846.911 where: short stacking energy: -383.267 Base-Backbone interact. energy: -1.755 local terms energy: -395.270043 where: bonds (distance) C4'-P energy: -57.677 bonds (distance) P-C4' energy: -80.135 flat angles C4'-P-C4' energy: -82.281 flat angles P-C4'-P energy: -65.095 tors. eta vs tors. theta energy: -110.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1196.938009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.938009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.938009 (E_RNA) where: Base-Base interactions energy: -829.009 where: short stacking energy: -371.213 Base-Backbone interact. energy: -3.331 local terms energy: -364.597463 where: bonds (distance) C4'-P energy: -69.945 bonds (distance) P-C4' energy: -67.843 flat angles C4'-P-C4' energy: -77.439 flat angles P-C4'-P energy: -49.620 tors. eta vs tors. theta energy: -99.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1002.531267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.531267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.531267 (E_RNA) where: Base-Base interactions energy: -671.748 where: short stacking energy: -308.478 Base-Backbone interact. energy: 2.021 local terms energy: -332.803747 where: bonds (distance) C4'-P energy: -68.491 bonds (distance) P-C4' energy: -57.843 flat angles C4'-P-C4' energy: -74.622 flat angles P-C4'-P energy: -56.542 tors. eta vs tors. theta energy: -75.306 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: 1 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -922.511791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.511791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.511791 (E_RNA) where: Base-Base interactions energy: -595.943 where: short stacking energy: -276.410 Base-Backbone interact. energy: -0.951 local terms energy: -325.617760 where: bonds (distance) C4'-P energy: -66.094 bonds (distance) P-C4' energy: -68.289 flat angles C4'-P-C4' energy: -69.625 flat angles P-C4'-P energy: -52.692 tors. eta vs tors. theta energy: -68.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -663.710807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.710807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.710807 (E_RNA) where: Base-Base interactions energy: -402.116 where: short stacking energy: -203.136 Base-Backbone interact. energy: -2.350 local terms energy: -259.244445 where: bonds (distance) C4'-P energy: -51.557 bonds (distance) P-C4' energy: -55.407 flat angles C4'-P-C4' energy: -70.770 flat angles P-C4'-P energy: -57.241 tors. eta vs tors. theta energy: -24.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -584.413989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.413989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.413989 (E_RNA) where: Base-Base interactions energy: -338.092 where: short stacking energy: -181.627 Base-Backbone interact. energy: 0.335 local terms energy: -246.657137 where: bonds (distance) C4'-P energy: -60.314 bonds (distance) P-C4' energy: -67.829 flat angles C4'-P-C4' energy: -55.447 flat angles P-C4'-P energy: -40.914 tors. eta vs tors. theta energy: -22.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -473.298189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.298189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.298189 (E_RNA) where: Base-Base interactions energy: -262.792 where: short stacking energy: -153.371 Base-Backbone interact. energy: -2.667 local terms energy: -207.839206 where: bonds (distance) C4'-P energy: -47.345 bonds (distance) P-C4' energy: -69.446 flat angles C4'-P-C4' energy: -50.697 flat angles P-C4'-P energy: -35.932 tors. eta vs tors. theta energy: -4.419 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: 3 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1377.969420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.969420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.969420 (E_RNA) where: Base-Base interactions energy: -958.992 where: short stacking energy: -379.804 Base-Backbone interact. energy: -0.873 local terms energy: -418.103918 where: bonds (distance) C4'-P energy: -72.296 bonds (distance) P-C4' energy: -82.013 flat angles C4'-P-C4' energy: -96.265 flat angles P-C4'-P energy: -57.482 tors. eta vs tors. theta energy: -110.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1335.374255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.374255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.374255 (E_RNA) where: Base-Base interactions energy: -930.999 where: short stacking energy: -383.906 Base-Backbone interact. energy: 0.050 local terms energy: -404.425433 where: bonds (distance) C4'-P energy: -72.307 bonds (distance) P-C4' energy: -73.729 flat angles C4'-P-C4' energy: -87.686 flat angles P-C4'-P energy: -56.464 tors. eta vs tors. theta energy: -114.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1248.805328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.805328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.805328 (E_RNA) where: Base-Base interactions energy: -857.902 where: short stacking energy: -362.084 Base-Backbone interact. energy: -4.369 local terms energy: -386.534718 where: bonds (distance) C4'-P energy: -66.877 bonds (distance) P-C4' energy: -86.948 flat angles C4'-P-C4' energy: -79.418 flat angles P-C4'-P energy: -56.641 tors. eta vs tors. theta energy: -96.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1270.888014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.888014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.888014 (E_RNA) where: Base-Base interactions energy: -895.822 where: short stacking energy: -380.187 Base-Backbone interact. energy: 0.908 local terms energy: -375.974389 where: bonds (distance) C4'-P energy: -66.806 bonds (distance) P-C4' energy: -70.308 flat angles C4'-P-C4' energy: -84.030 flat angles P-C4'-P energy: -46.564 tors. eta vs tors. theta energy: -108.267 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: 8 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1230.768284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.768284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.768284 (E_RNA) where: Base-Base interactions energy: -849.289 where: short stacking energy: -347.870 Base-Backbone interact. energy: 0.969 local terms energy: -382.448379 where: bonds (distance) C4'-P energy: -68.293 bonds (distance) P-C4' energy: -83.004 flat angles C4'-P-C4' energy: -82.956 flat angles P-C4'-P energy: -45.051 tors. eta vs tors. theta energy: -103.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -953.996241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.996241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.996241 (E_RNA) where: Base-Base interactions energy: -633.955 where: short stacking energy: -293.522 Base-Backbone interact. energy: 1.157 local terms energy: -321.198402 where: bonds (distance) C4'-P energy: -73.418 bonds (distance) P-C4' energy: -69.390 flat angles C4'-P-C4' energy: -58.530 flat angles P-C4'-P energy: -48.816 tors. eta vs tors. theta energy: -71.045 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: 7, replica: 1 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -891.185968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.185968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.185968 (E_RNA) where: Base-Base interactions energy: -585.987 where: short stacking energy: -281.059 Base-Backbone interact. energy: -0.108 local terms energy: -305.090417 where: bonds (distance) C4'-P energy: -65.002 bonds (distance) P-C4' energy: -65.846 flat angles C4'-P-C4' energy: -74.135 flat angles P-C4'-P energy: -35.459 tors. eta vs tors. theta energy: -64.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -666.046015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.046015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.046015 (E_RNA) where: Base-Base interactions energy: -389.872 where: short stacking energy: -187.228 Base-Backbone interact. energy: -3.484 local terms energy: -272.689650 where: bonds (distance) C4'-P energy: -72.943 bonds (distance) P-C4' energy: -66.043 flat angles C4'-P-C4' energy: -61.723 flat angles P-C4'-P energy: -43.522 tors. eta vs tors. theta energy: -28.459 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: 9, replica: 4 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -655.413294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.413294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.413294 (E_RNA) where: Base-Base interactions energy: -401.976 where: short stacking energy: -194.010 Base-Backbone interact. energy: 4.580 local terms energy: -258.017857 where: bonds (distance) C4'-P energy: -68.471 bonds (distance) P-C4' energy: -60.586 flat angles C4'-P-C4' energy: -68.649 flat angles P-C4'-P energy: -32.758 tors. eta vs tors. theta energy: -27.553 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: 10, replica: 2 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -529.868264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.868264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.868264 (E_RNA) where: Base-Base interactions energy: -305.748 where: short stacking energy: -167.816 Base-Backbone interact. energy: 2.255 local terms energy: -226.374779 where: bonds (distance) C4'-P energy: -56.642 bonds (distance) P-C4' energy: -59.063 flat angles C4'-P-C4' energy: -59.109 flat angles P-C4'-P energy: -28.293 tors. eta vs tors. theta energy: -23.268 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: 3 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1376.451714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.451714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.451714 (E_RNA) where: Base-Base interactions energy: -962.270 where: short stacking energy: -371.930 Base-Backbone interact. energy: -3.514 local terms energy: -410.668107 where: bonds (distance) C4'-P energy: -75.120 bonds (distance) P-C4' energy: -74.621 flat angles C4'-P-C4' energy: -89.936 flat angles P-C4'-P energy: -61.699 tors. eta vs tors. theta energy: -109.292 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: 9 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1321.268537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.268537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.268537 (E_RNA) where: Base-Base interactions energy: -927.923 where: short stacking energy: -391.429 Base-Backbone interact. energy: -1.901 local terms energy: -391.443724 where: bonds (distance) C4'-P energy: -70.605 bonds (distance) P-C4' energy: -67.043 flat angles C4'-P-C4' energy: -87.229 flat angles P-C4'-P energy: -57.813 tors. eta vs tors. theta energy: -108.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1262.310686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.310686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.310686 (E_RNA) where: Base-Base interactions energy: -853.417 where: short stacking energy: -391.216 Base-Backbone interact. energy: -0.801 local terms energy: -408.092469 where: bonds (distance) C4'-P energy: -85.226 bonds (distance) P-C4' energy: -68.648 flat angles C4'-P-C4' energy: -88.226 flat angles P-C4'-P energy: -59.411 tors. eta vs tors. theta energy: -106.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1256.806860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.806860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.806860 (E_RNA) where: Base-Base interactions energy: -887.292 where: short stacking energy: -360.847 Base-Backbone interact. energy: 3.252 local terms energy: -372.766703 where: bonds (distance) C4'-P energy: -70.986 bonds (distance) P-C4' energy: -71.763 flat angles C4'-P-C4' energy: -77.004 flat angles P-C4'-P energy: -54.497 tors. eta vs tors. theta energy: -98.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1235.661462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.661462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.661462 (E_RNA) where: Base-Base interactions energy: -850.768 where: short stacking energy: -355.181 Base-Backbone interact. energy: 1.057 local terms energy: -385.949912 where: bonds (distance) C4'-P energy: -76.848 bonds (distance) P-C4' energy: -69.210 flat angles C4'-P-C4' energy: -80.808 flat angles P-C4'-P energy: -42.183 tors. eta vs tors. theta energy: -116.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -955.251487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.251487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.251487 (E_RNA) where: Base-Base interactions energy: -619.750 where: short stacking energy: -278.334 Base-Backbone interact. energy: 2.010 local terms energy: -337.510822 where: bonds (distance) C4'-P energy: -59.172 bonds (distance) P-C4' energy: -75.394 flat angles C4'-P-C4' energy: -85.972 flat angles P-C4'-P energy: -41.702 tors. eta vs tors. theta energy: -75.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -858.789100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.789100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.789100 (E_RNA) where: Base-Base interactions energy: -540.058 where: short stacking energy: -272.629 Base-Backbone interact. energy: -0.251 local terms energy: -318.480483 where: bonds (distance) C4'-P energy: -58.802 bonds (distance) P-C4' energy: -71.725 flat angles C4'-P-C4' energy: -69.679 flat angles P-C4'-P energy: -46.664 tors. eta vs tors. theta energy: -71.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -712.910320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.910320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.910320 (E_RNA) where: Base-Base interactions energy: -431.788 where: short stacking energy: -221.930 Base-Backbone interact. energy: -3.193 local terms energy: -277.928962 where: bonds (distance) C4'-P energy: -68.402 bonds (distance) P-C4' energy: -65.386 flat angles C4'-P-C4' energy: -74.329 flat angles P-C4'-P energy: -37.415 tors. eta vs tors. theta energy: -32.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -612.998242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.998242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.998242 (E_RNA) where: Base-Base interactions energy: -351.673 where: short stacking energy: -180.541 Base-Backbone interact. energy: -2.344 local terms energy: -258.981459 where: bonds (distance) C4'-P energy: -52.365 bonds (distance) P-C4' energy: -67.132 flat angles C4'-P-C4' energy: -66.308 flat angles P-C4'-P energy: -48.628 tors. eta vs tors. theta energy: -24.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -496.776296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.776296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.776296 (E_RNA) where: Base-Base interactions energy: -262.712 where: short stacking energy: -143.800 Base-Backbone interact. energy: -2.135 local terms energy: -231.929676 where: bonds (distance) C4'-P energy: -68.266 bonds (distance) P-C4' energy: -56.497 flat angles C4'-P-C4' energy: -61.236 flat angles P-C4'-P energy: -31.584 tors. eta vs tors. theta energy: -14.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1384.034969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.034969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.034969 (E_RNA) where: Base-Base interactions energy: -981.811 where: short stacking energy: -383.247 Base-Backbone interact. energy: -3.326 local terms energy: -398.898451 where: bonds (distance) C4'-P energy: -74.822 bonds (distance) P-C4' energy: -76.099 flat angles C4'-P-C4' energy: -85.680 flat angles P-C4'-P energy: -60.501 tors. eta vs tors. theta energy: -101.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1330.878052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.878052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.878052 (E_RNA) where: Base-Base interactions energy: -908.997 where: short stacking energy: -396.880 Base-Backbone interact. energy: 0.200 local terms energy: -422.080833 where: bonds (distance) C4'-P energy: -71.760 bonds (distance) P-C4' energy: -75.997 flat angles C4'-P-C4' energy: -86.172 flat angles P-C4'-P energy: -73.022 tors. eta vs tors. theta energy: -115.131 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: 6 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1290.096921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.096921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.096921 (E_RNA) where: Base-Base interactions energy: -867.420 where: short stacking energy: -401.569 Base-Backbone interact. energy: -2.268 local terms energy: -420.408718 where: bonds (distance) C4'-P energy: -81.024 bonds (distance) P-C4' energy: -80.517 flat angles C4'-P-C4' energy: -84.207 flat angles P-C4'-P energy: -56.054 tors. eta vs tors. theta energy: -118.606 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: 8 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1250.249106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.249106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.249106 (E_RNA) where: Base-Base interactions energy: -866.157 where: short stacking energy: -342.275 Base-Backbone interact. energy: -0.439 local terms energy: -383.652780 where: bonds (distance) C4'-P energy: -68.835 bonds (distance) P-C4' energy: -87.295 flat angles C4'-P-C4' energy: -84.547 flat angles P-C4'-P energy: -46.194 tors. eta vs tors. theta energy: -96.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1233.916080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.916080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.916080 (E_RNA) where: Base-Base interactions energy: -860.650 where: short stacking energy: -358.858 Base-Backbone interact. energy: 2.507 local terms energy: -375.773525 where: bonds (distance) C4'-P energy: -65.050 bonds (distance) P-C4' energy: -69.343 flat angles C4'-P-C4' energy: -80.176 flat angles P-C4'-P energy: -49.362 tors. eta vs tors. theta energy: -111.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -974.576929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.576929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.576929 (E_RNA) where: Base-Base interactions energy: -644.208 where: short stacking energy: -311.215 Base-Backbone interact. energy: -2.220 local terms energy: -328.148905 where: bonds (distance) C4'-P energy: -50.992 bonds (distance) P-C4' energy: -70.368 flat angles C4'-P-C4' energy: -71.837 flat angles P-C4'-P energy: -53.269 tors. eta vs tors. theta energy: -81.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -862.533272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.533272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.533272 (E_RNA) where: Base-Base interactions energy: -564.060 where: short stacking energy: -286.819 Base-Backbone interact. energy: 0.719 local terms energy: -299.192184 where: bonds (distance) C4'-P energy: -56.183 bonds (distance) P-C4' energy: -56.841 flat angles C4'-P-C4' energy: -78.151 flat angles P-C4'-P energy: -38.811 tors. eta vs tors. theta energy: -69.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -733.486750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.486750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.486750 (E_RNA) where: Base-Base interactions energy: -459.067 where: short stacking energy: -240.797 Base-Backbone interact. energy: 0.286 local terms energy: -274.705624 where: bonds (distance) C4'-P energy: -64.044 bonds (distance) P-C4' energy: -66.038 flat angles C4'-P-C4' energy: -73.535 flat angles P-C4'-P energy: -24.861 tors. eta vs tors. theta energy: -46.228 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: 5 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -608.525770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.525770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.525770 (E_RNA) where: Base-Base interactions energy: -377.009 where: short stacking energy: -190.529 Base-Backbone interact. energy: -2.559 local terms energy: -228.957246 where: bonds (distance) C4'-P energy: -52.285 bonds (distance) P-C4' energy: -60.977 flat angles C4'-P-C4' energy: -68.850 flat angles P-C4'-P energy: -21.715 tors. eta vs tors. theta energy: -25.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -473.839558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.839558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.839558 (E_RNA) where: Base-Base interactions energy: -257.721 where: short stacking energy: -138.646 Base-Backbone interact. energy: 1.624 local terms energy: -217.742416 where: bonds (distance) C4'-P energy: -50.486 bonds (distance) P-C4' energy: -66.659 flat angles C4'-P-C4' energy: -62.424 flat angles P-C4'-P energy: -36.267 tors. eta vs tors. theta energy: -1.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1385.439797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.439797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.439797 (E_RNA) where: Base-Base interactions energy: -967.244 where: short stacking energy: -393.474 Base-Backbone interact. energy: -4.948 local terms energy: -413.248295 where: bonds (distance) C4'-P energy: -81.610 bonds (distance) P-C4' energy: -74.592 flat angles C4'-P-C4' energy: -90.641 flat angles P-C4'-P energy: -61.234 tors. eta vs tors. theta energy: -105.171 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: 2, replica: 9 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1350.238003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.238003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.238003 (E_RNA) where: Base-Base interactions energy: -929.971 where: short stacking energy: -386.372 Base-Backbone interact. energy: -1.127 local terms energy: -419.139378 where: bonds (distance) C4'-P energy: -80.840 bonds (distance) P-C4' energy: -73.390 flat angles C4'-P-C4' energy: -88.733 flat angles P-C4'-P energy: -62.883 tors. eta vs tors. theta energy: -113.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1269.309083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.309083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.309083 (E_RNA) where: Base-Base interactions energy: -858.514 where: short stacking energy: -414.156 Base-Backbone interact. energy: 2.031 local terms energy: -412.826172 where: bonds (distance) C4'-P energy: -75.996 bonds (distance) P-C4' energy: -76.774 flat angles C4'-P-C4' energy: -84.229 flat angles P-C4'-P energy: -53.125 tors. eta vs tors. theta energy: -122.702 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: 10 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1248.029056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.029056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.029056 (E_RNA) where: Base-Base interactions energy: -851.397 where: short stacking energy: -375.387 Base-Backbone interact. energy: -2.037 local terms energy: -394.594822 where: bonds (distance) C4'-P energy: -65.885 bonds (distance) P-C4' energy: -72.528 flat angles C4'-P-C4' energy: -91.102 flat angles P-C4'-P energy: -53.765 tors. eta vs tors. theta energy: -111.315 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: 8 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1162.883943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.883943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.883943 (E_RNA) where: Base-Base interactions energy: -777.230 where: short stacking energy: -323.217 Base-Backbone interact. energy: -3.283 local terms energy: -382.371004 where: bonds (distance) C4'-P energy: -65.038 bonds (distance) P-C4' energy: -80.163 flat angles C4'-P-C4' energy: -85.937 flat angles P-C4'-P energy: -56.968 tors. eta vs tors. theta energy: -94.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -944.270322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.270322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.270322 (E_RNA) where: Base-Base interactions energy: -606.364 where: short stacking energy: -287.622 Base-Backbone interact. energy: -0.876 local terms energy: -337.030153 where: bonds (distance) C4'-P energy: -79.900 bonds (distance) P-C4' energy: -79.207 flat angles C4'-P-C4' energy: -81.655 flat angles P-C4'-P energy: -38.128 tors. eta vs tors. theta energy: -58.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -850.227597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.227597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.227597 (E_RNA) where: Base-Base interactions energy: -525.424 where: short stacking energy: -274.073 Base-Backbone interact. energy: -1.147 local terms energy: -323.656738 where: bonds (distance) C4'-P energy: -78.880 bonds (distance) P-C4' energy: -64.282 flat angles C4'-P-C4' energy: -71.790 flat angles P-C4'-P energy: -47.261 tors. eta vs tors. theta energy: -61.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -757.946980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.946980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.946980 (E_RNA) where: Base-Base interactions energy: -488.440 where: short stacking energy: -217.056 Base-Backbone interact. energy: -1.086 local terms energy: -268.421577 where: bonds (distance) C4'-P energy: -59.641 bonds (distance) P-C4' energy: -67.955 flat angles C4'-P-C4' energy: -61.755 flat angles P-C4'-P energy: -41.950 tors. eta vs tors. theta energy: -37.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -630.865772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.865772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.865772 (E_RNA) where: Base-Base interactions energy: -383.182 where: short stacking energy: -191.248 Base-Backbone interact. energy: 2.407 local terms energy: -250.091182 where: bonds (distance) C4'-P energy: -53.239 bonds (distance) P-C4' energy: -74.958 flat angles C4'-P-C4' energy: -53.936 flat angles P-C4'-P energy: -32.854 tors. eta vs tors. theta energy: -35.105 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: 2 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -485.342209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.342209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.342209 (E_RNA) where: Base-Base interactions energy: -257.904 where: short stacking energy: -141.979 Base-Backbone interact. energy: 0.946 local terms energy: -228.383541 where: bonds (distance) C4'-P energy: -61.262 bonds (distance) P-C4' energy: -64.139 flat angles C4'-P-C4' energy: -62.075 flat angles P-C4'-P energy: -25.597 tors. eta vs tors. theta energy: -15.311 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: 1, replica: 3 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1402.592346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.592346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.592346 (E_RNA) where: Base-Base interactions energy: -981.566 where: short stacking energy: -413.070 Base-Backbone interact. energy: -2.243 local terms energy: -418.783526 where: bonds (distance) C4'-P energy: -73.253 bonds (distance) P-C4' energy: -78.004 flat angles C4'-P-C4' energy: -95.250 flat angles P-C4'-P energy: -62.657 tors. eta vs tors. theta energy: -109.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1363.400918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.400918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.400918 (E_RNA) where: Base-Base interactions energy: -944.215 where: short stacking energy: -398.574 Base-Backbone interact. energy: -1.950 local terms energy: -417.235985 where: bonds (distance) C4'-P energy: -85.939 bonds (distance) P-C4' energy: -75.494 flat angles C4'-P-C4' energy: -90.450 flat angles P-C4'-P energy: -50.760 tors. eta vs tors. theta energy: -114.593 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: 6 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1263.000117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.000117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.000117 (E_RNA) where: Base-Base interactions energy: -857.173 where: short stacking energy: -380.303 Base-Backbone interact. energy: -1.429 local terms energy: -404.398409 where: bonds (distance) C4'-P energy: -68.248 bonds (distance) P-C4' energy: -76.611 flat angles C4'-P-C4' energy: -90.098 flat angles P-C4'-P energy: -56.125 tors. eta vs tors. theta energy: -113.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1244.210875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.210875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.210875 (E_RNA) where: Base-Base interactions energy: -859.270 where: short stacking energy: -379.841 Base-Backbone interact. energy: -2.697 local terms energy: -382.243645 where: bonds (distance) C4'-P energy: -50.265 bonds (distance) P-C4' energy: -85.567 flat angles C4'-P-C4' energy: -87.060 flat angles P-C4'-P energy: -53.694 tors. eta vs tors. theta energy: -105.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1194.861815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.861815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.861815 (E_RNA) where: Base-Base interactions energy: -848.735 where: short stacking energy: -341.555 Base-Backbone interact. energy: 0.214 local terms energy: -346.340986 where: bonds (distance) C4'-P energy: -62.332 bonds (distance) P-C4' energy: -68.947 flat angles C4'-P-C4' energy: -64.910 flat angles P-C4'-P energy: -56.895 tors. eta vs tors. theta energy: -93.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -969.880256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.880256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.880256 (E_RNA) where: Base-Base interactions energy: -627.298 where: short stacking energy: -280.982 Base-Backbone interact. energy: -0.695 local terms energy: -341.886412 where: bonds (distance) C4'-P energy: -63.328 bonds (distance) P-C4' energy: -79.099 flat angles C4'-P-C4' energy: -82.890 flat angles P-C4'-P energy: -45.155 tors. eta vs tors. theta energy: -71.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -851.434523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.434523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.434523 (E_RNA) where: Base-Base interactions energy: -547.717 where: short stacking energy: -260.682 Base-Backbone interact. energy: -0.313 local terms energy: -303.404263 where: bonds (distance) C4'-P energy: -54.186 bonds (distance) P-C4' energy: -73.174 flat angles C4'-P-C4' energy: -77.995 flat angles P-C4'-P energy: -41.772 tors. eta vs tors. theta energy: -56.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -752.252966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.252966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.252966 (E_RNA) where: Base-Base interactions energy: -479.225 where: short stacking energy: -211.334 Base-Backbone interact. energy: 2.177 local terms energy: -275.204611 where: bonds (distance) C4'-P energy: -62.147 bonds (distance) P-C4' energy: -66.954 flat angles C4'-P-C4' energy: -61.516 flat angles P-C4'-P energy: -53.254 tors. eta vs tors. theta energy: -31.333 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: 9, replica: 5 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -641.561683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.561683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.561683 (E_RNA) where: Base-Base interactions energy: -361.467 where: short stacking energy: -195.132 Base-Backbone interact. energy: -1.146 local terms energy: -278.948611 where: bonds (distance) C4'-P energy: -75.804 bonds (distance) P-C4' energy: -68.443 flat angles C4'-P-C4' energy: -61.711 flat angles P-C4'-P energy: -42.913 tors. eta vs tors. theta energy: -30.077 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: 2 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -479.171580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.171580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.171580 (E_RNA) where: Base-Base interactions energy: -257.896 where: short stacking energy: -139.524 Base-Backbone interact. energy: 4.707 local terms energy: -225.982091 where: bonds (distance) C4'-P energy: -64.314 bonds (distance) P-C4' energy: -70.418 flat angles C4'-P-C4' energy: -63.403 flat angles P-C4'-P energy: -27.496 tors. eta vs tors. theta energy: -0.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1388.962105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.962105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.962105 (E_RNA) where: Base-Base interactions energy: -984.113 where: short stacking energy: -392.852 Base-Backbone interact. energy: -1.312 local terms energy: -403.536774 where: bonds (distance) C4'-P energy: -72.671 bonds (distance) P-C4' energy: -87.248 flat angles C4'-P-C4' energy: -79.373 flat angles P-C4'-P energy: -57.849 tors. eta vs tors. theta energy: -106.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1346.701275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.701275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.701275 (E_RNA) where: Base-Base interactions energy: -936.747 where: short stacking energy: -402.313 Base-Backbone interact. energy: -3.323 local terms energy: -406.631098 where: bonds (distance) C4'-P energy: -70.099 bonds (distance) P-C4' energy: -84.518 flat angles C4'-P-C4' energy: -83.715 flat angles P-C4'-P energy: -53.293 tors. eta vs tors. theta energy: -115.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1254.434536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.434536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.434536 (E_RNA) where: Base-Base interactions energy: -870.825 where: short stacking energy: -369.014 Base-Backbone interact. energy: 1.651 local terms energy: -385.260875 where: bonds (distance) C4'-P energy: -77.162 bonds (distance) P-C4' energy: -67.674 flat angles C4'-P-C4' energy: -85.551 flat angles P-C4'-P energy: -54.053 tors. eta vs tors. theta energy: -100.821 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: 8 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1223.119952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.119952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.119952 (E_RNA) where: Base-Base interactions energy: -852.404 where: short stacking energy: -340.080 Base-Backbone interact. energy: -1.167 local terms energy: -369.548475 where: bonds (distance) C4'-P energy: -75.883 bonds (distance) P-C4' energy: -73.182 flat angles C4'-P-C4' energy: -77.673 flat angles P-C4'-P energy: -47.745 tors. eta vs tors. theta energy: -95.065 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: 10 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1241.364636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.364636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.364636 (E_RNA) where: Base-Base interactions energy: -856.443 where: short stacking energy: -364.972 Base-Backbone interact. energy: -0.269 local terms energy: -384.652650 where: bonds (distance) C4'-P energy: -75.158 bonds (distance) P-C4' energy: -65.285 flat angles C4'-P-C4' energy: -84.088 flat angles P-C4'-P energy: -56.998 tors. eta vs tors. theta energy: -103.124 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: 7 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -984.567022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.567022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.567022 (E_RNA) where: Base-Base interactions energy: -625.983 where: short stacking energy: -291.959 Base-Backbone interact. energy: -0.861 local terms energy: -357.722915 where: bonds (distance) C4'-P energy: -75.488 bonds (distance) P-C4' energy: -69.527 flat angles C4'-P-C4' energy: -76.766 flat angles P-C4'-P energy: -62.078 tors. eta vs tors. theta energy: -73.864 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: 1 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -843.103386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.103386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.103386 (E_RNA) where: Base-Base interactions energy: -558.208 where: short stacking energy: -257.441 Base-Backbone interact. energy: -1.842 local terms energy: -283.053880 where: bonds (distance) C4'-P energy: -58.242 bonds (distance) P-C4' energy: -65.107 flat angles C4'-P-C4' energy: -70.665 flat angles P-C4'-P energy: -36.182 tors. eta vs tors. theta energy: -52.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -730.201076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.201076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.201076 (E_RNA) where: Base-Base interactions energy: -444.895 where: short stacking energy: -219.496 Base-Backbone interact. energy: -2.992 local terms energy: -282.313570 where: bonds (distance) C4'-P energy: -72.635 bonds (distance) P-C4' energy: -72.180 flat angles C4'-P-C4' energy: -60.512 flat angles P-C4'-P energy: -44.765 tors. eta vs tors. theta energy: -32.223 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: 5 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -552.515357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.515357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.515357 (E_RNA) where: Base-Base interactions energy: -311.414 where: short stacking energy: -135.235 Base-Backbone interact. energy: -2.091 local terms energy: -239.010395 where: bonds (distance) C4'-P energy: -57.900 bonds (distance) P-C4' energy: -73.663 flat angles C4'-P-C4' energy: -54.740 flat angles P-C4'-P energy: -53.867 tors. eta vs tors. theta energy: 1.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -498.924844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.924844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.924844 (E_RNA) where: Base-Base interactions energy: -266.694 where: short stacking energy: -143.675 Base-Backbone interact. energy: 5.291 local terms energy: -237.521003 where: bonds (distance) C4'-P energy: -67.199 bonds (distance) P-C4' energy: -63.224 flat angles C4'-P-C4' energy: -63.642 flat angles P-C4'-P energy: -40.550 tors. eta vs tors. theta energy: -2.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1378.217477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.217477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.217477 (E_RNA) where: Base-Base interactions energy: -957.037 where: short stacking energy: -437.255 Base-Backbone interact. energy: -0.539 local terms energy: -420.640797 where: bonds (distance) C4'-P energy: -72.096 bonds (distance) P-C4' energy: -76.609 flat angles C4'-P-C4' energy: -92.856 flat angles P-C4'-P energy: -55.702 tors. eta vs tors. theta energy: -123.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1360.707384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.707384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.707384 (E_RNA) where: Base-Base interactions energy: -969.425 where: short stacking energy: -377.927 Base-Backbone interact. energy: -4.596 local terms energy: -386.687022 where: bonds (distance) C4'-P energy: -60.208 bonds (distance) P-C4' energy: -77.145 flat angles C4'-P-C4' energy: -80.831 flat angles P-C4'-P energy: -67.706 tors. eta vs tors. theta energy: -100.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1274.061262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.061262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.061262 (E_RNA) where: Base-Base interactions energy: -864.257 where: short stacking energy: -373.576 Base-Backbone interact. energy: -0.253 local terms energy: -409.551625 where: bonds (distance) C4'-P energy: -68.099 bonds (distance) P-C4' energy: -79.621 flat angles C4'-P-C4' energy: -86.074 flat angles P-C4'-P energy: -62.689 tors. eta vs tors. theta energy: -113.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1237.846886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.846886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.846886 (E_RNA) where: Base-Base interactions energy: -857.501 where: short stacking energy: -346.922 Base-Backbone interact. energy: -0.167 local terms energy: -380.178758 where: bonds (distance) C4'-P energy: -69.426 bonds (distance) P-C4' energy: -69.588 flat angles C4'-P-C4' energy: -78.158 flat angles P-C4'-P energy: -56.057 tors. eta vs tors. theta energy: -106.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1242.847499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.847499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.847499 (E_RNA) where: Base-Base interactions energy: -852.593 where: short stacking energy: -363.290 Base-Backbone interact. energy: -2.341 local terms energy: -387.913401 where: bonds (distance) C4'-P energy: -57.425 bonds (distance) P-C4' energy: -75.843 flat angles C4'-P-C4' energy: -85.091 flat angles P-C4'-P energy: -59.410 tors. eta vs tors. theta energy: -110.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -967.948652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.948652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.948652 (E_RNA) where: Base-Base interactions energy: -639.417 where: short stacking energy: -290.584 Base-Backbone interact. energy: -1.412 local terms energy: -327.119432 where: bonds (distance) C4'-P energy: -69.348 bonds (distance) P-C4' energy: -72.061 flat angles C4'-P-C4' energy: -72.923 flat angles P-C4'-P energy: -46.572 tors. eta vs tors. theta energy: -66.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -849.544838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.544838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.544838 (E_RNA) where: Base-Base interactions energy: -563.260 where: short stacking energy: -266.294 Base-Backbone interact. energy: -0.673 local terms energy: -285.611043 where: bonds (distance) C4'-P energy: -39.734 bonds (distance) P-C4' energy: -68.808 flat angles C4'-P-C4' energy: -74.724 flat angles P-C4'-P energy: -39.754 tors. eta vs tors. theta energy: -62.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -797.276165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.276165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.276165 (E_RNA) where: Base-Base interactions energy: -502.020 where: short stacking energy: -247.395 Base-Backbone interact. energy: 0.112 local terms energy: -295.368021 where: bonds (distance) C4'-P energy: -61.819 bonds (distance) P-C4' energy: -65.438 flat angles C4'-P-C4' energy: -61.384 flat angles P-C4'-P energy: -53.256 tors. eta vs tors. theta energy: -53.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -578.961835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.961835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.961835 (E_RNA) where: Base-Base interactions energy: -300.500 where: short stacking energy: -159.272 Base-Backbone interact. energy: -2.801 local terms energy: -275.660389 where: bonds (distance) C4'-P energy: -54.110 bonds (distance) P-C4' energy: -82.540 flat angles C4'-P-C4' energy: -72.268 flat angles P-C4'-P energy: -47.230 tors. eta vs tors. theta energy: -19.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -482.557378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.557378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.557378 (E_RNA) where: Base-Base interactions energy: -238.846 where: short stacking energy: -120.622 Base-Backbone interact. energy: -0.477 local terms energy: -243.234094 where: bonds (distance) C4'-P energy: -69.677 bonds (distance) P-C4' energy: -77.802 flat angles C4'-P-C4' energy: -63.008 flat angles P-C4'-P energy: -33.181 tors. eta vs tors. theta energy: 0.433 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: 9 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1392.395709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.395709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.395709 (E_RNA) where: Base-Base interactions energy: -955.692 where: short stacking energy: -409.989 Base-Backbone interact. energy: -6.220 local terms energy: -430.483154 where: bonds (distance) C4'-P energy: -77.625 bonds (distance) P-C4' energy: -84.486 flat angles C4'-P-C4' energy: -85.988 flat angles P-C4'-P energy: -59.143 tors. eta vs tors. theta energy: -123.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1376.010663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.010663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.010663 (E_RNA) where: Base-Base interactions energy: -970.014 where: short stacking energy: -393.346 Base-Backbone interact. energy: -3.233 local terms energy: -402.763186 where: bonds (distance) C4'-P energy: -69.434 bonds (distance) P-C4' energy: -79.892 flat angles C4'-P-C4' energy: -87.581 flat angles P-C4'-P energy: -60.874 tors. eta vs tors. theta energy: -104.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1299.226287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.226287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.226287 (E_RNA) where: Base-Base interactions energy: -905.578 where: short stacking energy: -383.992 Base-Backbone interact. energy: -1.220 local terms energy: -392.428257 where: bonds (distance) C4'-P energy: -73.369 bonds (distance) P-C4' energy: -68.997 flat angles C4'-P-C4' energy: -89.105 flat angles P-C4'-P energy: -57.307 tors. eta vs tors. theta energy: -103.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1254.155560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.155560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.155560 (E_RNA) where: Base-Base interactions energy: -856.417 where: short stacking energy: -346.856 Base-Backbone interact. energy: -2.348 local terms energy: -395.391086 where: bonds (distance) C4'-P energy: -77.405 bonds (distance) P-C4' energy: -72.981 flat angles C4'-P-C4' energy: -81.110 flat angles P-C4'-P energy: -55.578 tors. eta vs tors. theta energy: -108.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1239.174396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.174396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.174396 (E_RNA) where: Base-Base interactions energy: -860.117 where: short stacking energy: -358.906 Base-Backbone interact. energy: 1.749 local terms energy: -380.806789 where: bonds (distance) C4'-P energy: -63.432 bonds (distance) P-C4' energy: -77.933 flat angles C4'-P-C4' energy: -77.853 flat angles P-C4'-P energy: -58.758 tors. eta vs tors. theta energy: -102.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1018.213138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.213138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.213138 (E_RNA) where: Base-Base interactions energy: -695.798 where: short stacking energy: -296.780 Base-Backbone interact. energy: -0.173 local terms energy: -322.242035 where: bonds (distance) C4'-P energy: -60.274 bonds (distance) P-C4' energy: -83.172 flat angles C4'-P-C4' energy: -75.386 flat angles P-C4'-P energy: -29.974 tors. eta vs tors. theta energy: -73.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -888.200712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.200712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.200712 (E_RNA) where: Base-Base interactions energy: -561.856 where: short stacking energy: -268.855 Base-Backbone interact. energy: -1.765 local terms energy: -324.579830 where: bonds (distance) C4'-P energy: -66.938 bonds (distance) P-C4' energy: -67.429 flat angles C4'-P-C4' energy: -79.357 flat angles P-C4'-P energy: -46.082 tors. eta vs tors. theta energy: -64.774 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: 4 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -786.331368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.331368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.331368 (E_RNA) where: Base-Base interactions energy: -493.141 where: short stacking energy: -244.988 Base-Backbone interact. energy: 0.575 local terms energy: -293.765091 where: bonds (distance) C4'-P energy: -71.312 bonds (distance) P-C4' energy: -71.370 flat angles C4'-P-C4' energy: -68.212 flat angles P-C4'-P energy: -43.852 tors. eta vs tors. theta energy: -39.018 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: 5 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -597.668073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.668073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.668073 (E_RNA) where: Base-Base interactions energy: -346.483 where: short stacking energy: -164.469 Base-Backbone interact. energy: -1.317 local terms energy: -249.867186 where: bonds (distance) C4'-P energy: -68.583 bonds (distance) P-C4' energy: -66.451 flat angles C4'-P-C4' energy: -71.340 flat angles P-C4'-P energy: -26.954 tors. eta vs tors. theta energy: -16.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -480.513670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.513670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.513670 (E_RNA) where: Base-Base interactions energy: -272.527 where: short stacking energy: -130.696 Base-Backbone interact. energy: -2.894 local terms energy: -205.091864 where: bonds (distance) C4'-P energy: -56.387 bonds (distance) P-C4' energy: -62.348 flat angles C4'-P-C4' energy: -49.564 flat angles P-C4'-P energy: -34.008 tors. eta vs tors. theta energy: -2.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1417.944474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.944474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.944474 (E_RNA) where: Base-Base interactions energy: -968.855 where: short stacking energy: -410.758 Base-Backbone interact. energy: -1.557 local terms energy: -447.532723 where: bonds (distance) C4'-P energy: -86.845 bonds (distance) P-C4' energy: -87.876 flat angles C4'-P-C4' energy: -89.307 flat angles P-C4'-P energy: -59.831 tors. eta vs tors. theta energy: -123.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1373.654277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.654277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.654277 (E_RNA) where: Base-Base interactions energy: -967.414 where: short stacking energy: -366.370 Base-Backbone interact. energy: -4.560 local terms energy: -401.680715 where: bonds (distance) C4'-P energy: -76.598 bonds (distance) P-C4' energy: -73.724 flat angles C4'-P-C4' energy: -89.711 flat angles P-C4'-P energy: -54.367 tors. eta vs tors. theta energy: -107.281 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: 8 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1322.372808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.372808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.372808 (E_RNA) where: Base-Base interactions energy: -922.428 where: short stacking energy: -371.649 Base-Backbone interact. energy: -1.653 local terms energy: -398.291774 where: bonds (distance) C4'-P energy: -76.377 bonds (distance) P-C4' energy: -70.791 flat angles C4'-P-C4' energy: -80.067 flat angles P-C4'-P energy: -53.195 tors. eta vs tors. theta energy: -117.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1266.595746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.595746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.595746 (E_RNA) where: Base-Base interactions energy: -888.031 where: short stacking energy: -370.903 Base-Backbone interact. energy: -3.019 local terms energy: -375.545856 where: bonds (distance) C4'-P energy: -63.884 bonds (distance) P-C4' energy: -65.878 flat angles C4'-P-C4' energy: -87.958 flat angles P-C4'-P energy: -57.475 tors. eta vs tors. theta energy: -100.351 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: 10 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1249.800324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.800324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.800324 (E_RNA) where: Base-Base interactions energy: -869.936 where: short stacking energy: -377.802 Base-Backbone interact. energy: -1.945 local terms energy: -377.919376 where: bonds (distance) C4'-P energy: -64.442 bonds (distance) P-C4' energy: -77.448 flat angles C4'-P-C4' energy: -83.515 flat angles P-C4'-P energy: -52.876 tors. eta vs tors. theta energy: -99.638 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: 7 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1074.633874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.633874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.633874 (E_RNA) where: Base-Base interactions energy: -708.018 where: short stacking energy: -312.047 Base-Backbone interact. energy: -2.812 local terms energy: -363.803213 where: bonds (distance) C4'-P energy: -67.986 bonds (distance) P-C4' energy: -74.522 flat angles C4'-P-C4' energy: -73.303 flat angles P-C4'-P energy: -59.216 tors. eta vs tors. theta energy: -88.777 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: 1 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -861.023316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.023316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.023316 (E_RNA) where: Base-Base interactions energy: -565.953 where: short stacking energy: -235.613 Base-Backbone interact. energy: -2.335 local terms energy: -292.735137 where: bonds (distance) C4'-P energy: -64.751 bonds (distance) P-C4' energy: -68.296 flat angles C4'-P-C4' energy: -70.106 flat angles P-C4'-P energy: -41.781 tors. eta vs tors. theta energy: -47.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -729.507171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.507171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.507171 (E_RNA) where: Base-Base interactions energy: -443.442 where: short stacking energy: -210.368 Base-Backbone interact. energy: 0.074 local terms energy: -286.139645 where: bonds (distance) C4'-P energy: -69.875 bonds (distance) P-C4' energy: -66.614 flat angles C4'-P-C4' energy: -65.883 flat angles P-C4'-P energy: -54.139 tors. eta vs tors. theta energy: -29.628 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: 5 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -561.349870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.349870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.349870 (E_RNA) where: Base-Base interactions energy: -326.813 where: short stacking energy: -175.190 Base-Backbone interact. energy: -1.577 local terms energy: -232.960465 where: bonds (distance) C4'-P energy: -63.596 bonds (distance) P-C4' energy: -60.358 flat angles C4'-P-C4' energy: -54.442 flat angles P-C4'-P energy: -38.829 tors. eta vs tors. theta energy: -15.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -499.541340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.541340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.541340 (E_RNA) where: Base-Base interactions energy: -289.440 where: short stacking energy: -153.457 Base-Backbone interact. energy: 1.628 local terms energy: -211.729768 where: bonds (distance) C4'-P energy: -60.183 bonds (distance) P-C4' energy: -62.943 flat angles C4'-P-C4' energy: -54.816 flat angles P-C4'-P energy: -28.777 tors. eta vs tors. theta energy: -5.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1382.005650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.005650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.005650 (E_RNA) where: Base-Base interactions energy: -947.003 where: short stacking energy: -401.387 Base-Backbone interact. energy: -0.537 local terms energy: -434.465746 where: bonds (distance) C4'-P energy: -78.164 bonds (distance) P-C4' energy: -90.259 flat angles C4'-P-C4' energy: -89.374 flat angles P-C4'-P energy: -62.005 tors. eta vs tors. theta energy: -114.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1331.395428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.395428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.395428 (E_RNA) where: Base-Base interactions energy: -924.213 where: short stacking energy: -364.256 Base-Backbone interact. energy: -2.780 local terms energy: -404.402164 where: bonds (distance) C4'-P energy: -70.815 bonds (distance) P-C4' energy: -75.220 flat angles C4'-P-C4' energy: -89.150 flat angles P-C4'-P energy: -65.479 tors. eta vs tors. theta energy: -103.738 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: 8 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1272.864533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.864533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.864533 (E_RNA) where: Base-Base interactions energy: -885.552 where: short stacking energy: -357.296 Base-Backbone interact. energy: -2.010 local terms energy: -385.302183 where: bonds (distance) C4'-P energy: -67.749 bonds (distance) P-C4' energy: -72.459 flat angles C4'-P-C4' energy: -83.180 flat angles P-C4'-P energy: -59.581 tors. eta vs tors. theta energy: -102.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1246.037597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.037597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.037597 (E_RNA) where: Base-Base interactions energy: -884.766 where: short stacking energy: -365.062 Base-Backbone interact. energy: -1.440 local terms energy: -359.831403 where: bonds (distance) C4'-P energy: -67.394 bonds (distance) P-C4' energy: -71.912 flat angles C4'-P-C4' energy: -83.226 flat angles P-C4'-P energy: -51.394 tors. eta vs tors. theta energy: -85.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1182.999169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.999169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.999169 (E_RNA) where: Base-Base interactions energy: -821.281 where: short stacking energy: -345.010 Base-Backbone interact. energy: -1.966 local terms energy: -359.752605 where: bonds (distance) C4'-P energy: -73.721 bonds (distance) P-C4' energy: -60.810 flat angles C4'-P-C4' energy: -78.415 flat angles P-C4'-P energy: -56.522 tors. eta vs tors. theta energy: -90.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1043.214766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.214766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.214766 (E_RNA) where: Base-Base interactions energy: -697.978 where: short stacking energy: -320.107 Base-Backbone interact. energy: -0.148 local terms energy: -345.088606 where: bonds (distance) C4'-P energy: -72.432 bonds (distance) P-C4' energy: -75.475 flat angles C4'-P-C4' energy: -68.557 flat angles P-C4'-P energy: -40.411 tors. eta vs tors. theta energy: -88.214 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: 1 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -851.313840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.313840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.313840 (E_RNA) where: Base-Base interactions energy: -532.664 where: short stacking energy: -267.110 Base-Backbone interact. energy: -0.944 local terms energy: -317.705494 where: bonds (distance) C4'-P energy: -59.721 bonds (distance) P-C4' energy: -80.488 flat angles C4'-P-C4' energy: -74.038 flat angles P-C4'-P energy: -45.116 tors. eta vs tors. theta energy: -58.342 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: 4 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -771.191248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.191248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.191248 (E_RNA) where: Base-Base interactions energy: -499.121 where: short stacking energy: -238.711 Base-Backbone interact. energy: 2.089 local terms energy: -274.159084 where: bonds (distance) C4'-P energy: -50.928 bonds (distance) P-C4' energy: -61.452 flat angles C4'-P-C4' energy: -77.542 flat angles P-C4'-P energy: -23.299 tors. eta vs tors. theta energy: -60.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -571.663549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.663549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.663549 (E_RNA) where: Base-Base interactions energy: -323.966 where: short stacking energy: -166.270 Base-Backbone interact. energy: 2.163 local terms energy: -249.860044 where: bonds (distance) C4'-P energy: -69.076 bonds (distance) P-C4' energy: -79.406 flat angles C4'-P-C4' energy: -37.577 flat angles P-C4'-P energy: -43.264 tors. eta vs tors. theta energy: -20.537 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: 2 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -456.404963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.404963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.404963 (E_RNA) where: Base-Base interactions energy: -239.514 where: short stacking energy: -110.277 Base-Backbone interact. energy: 0.470 local terms energy: -217.361243 where: bonds (distance) C4'-P energy: -67.831 bonds (distance) P-C4' energy: -67.877 flat angles C4'-P-C4' energy: -54.764 flat angles P-C4'-P energy: -34.421 tors. eta vs tors. theta energy: 7.531 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: 9 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1385.241946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.241946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.241946 (E_RNA) where: Base-Base interactions energy: -948.647 where: short stacking energy: -415.141 Base-Backbone interact. energy: -1.162 local terms energy: -435.432995 where: bonds (distance) C4'-P energy: -75.383 bonds (distance) P-C4' energy: -86.219 flat angles C4'-P-C4' energy: -95.115 flat angles P-C4'-P energy: -59.749 tors. eta vs tors. theta energy: -118.968 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: 3 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1337.027904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.027904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.027904 (E_RNA) where: Base-Base interactions energy: -924.870 where: short stacking energy: -367.151 Base-Backbone interact. energy: -4.533 local terms energy: -407.624723 where: bonds (distance) C4'-P energy: -76.933 bonds (distance) P-C4' energy: -82.171 flat angles C4'-P-C4' energy: -89.952 flat angles P-C4'-P energy: -62.400 tors. eta vs tors. theta energy: -96.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1300.360046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.360046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.360046 (E_RNA) where: Base-Base interactions energy: -895.399 where: short stacking energy: -365.154 Base-Backbone interact. energy: 0.799 local terms energy: -405.759455 where: bonds (distance) C4'-P energy: -66.587 bonds (distance) P-C4' energy: -81.155 flat angles C4'-P-C4' energy: -91.525 flat angles P-C4'-P energy: -56.003 tors. eta vs tors. theta energy: -110.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1274.087429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.087429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.087429 (E_RNA) where: Base-Base interactions energy: -899.210 where: short stacking energy: -393.488 Base-Backbone interact. energy: -0.627 local terms energy: -374.250039 where: bonds (distance) C4'-P energy: -64.371 bonds (distance) P-C4' energy: -65.746 flat angles C4'-P-C4' energy: -84.023 flat angles P-C4'-P energy: -47.328 tors. eta vs tors. theta energy: -112.782 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: 6 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1184.417991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.417991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.417991 (E_RNA) where: Base-Base interactions energy: -788.621 where: short stacking energy: -356.580 Base-Backbone interact. energy: -1.050 local terms energy: -394.746874 where: bonds (distance) C4'-P energy: -80.346 bonds (distance) P-C4' energy: -67.273 flat angles C4'-P-C4' energy: -76.549 flat angles P-C4'-P energy: -63.704 tors. eta vs tors. theta energy: -106.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1060.772736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.772736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.772736 (E_RNA) where: Base-Base interactions energy: -713.216 where: short stacking energy: -306.670 Base-Backbone interact. energy: 4.574 local terms energy: -352.131539 where: bonds (distance) C4'-P energy: -77.811 bonds (distance) P-C4' energy: -72.910 flat angles C4'-P-C4' energy: -76.341 flat angles P-C4'-P energy: -45.966 tors. eta vs tors. theta energy: -79.103 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: 4 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -890.978967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.978967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.978967 (E_RNA) where: Base-Base interactions energy: -587.842 where: short stacking energy: -275.789 Base-Backbone interact. energy: -2.029 local terms energy: -301.107630 where: bonds (distance) C4'-P energy: -69.546 bonds (distance) P-C4' energy: -71.280 flat angles C4'-P-C4' energy: -63.618 flat angles P-C4'-P energy: -39.152 tors. eta vs tors. theta energy: -57.513 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: 1 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -789.756350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.756350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.756350 (E_RNA) where: Base-Base interactions energy: -501.587 where: short stacking energy: -244.787 Base-Backbone interact. energy: -1.449 local terms energy: -286.720074 where: bonds (distance) C4'-P energy: -60.888 bonds (distance) P-C4' energy: -76.579 flat angles C4'-P-C4' energy: -67.151 flat angles P-C4'-P energy: -38.718 tors. eta vs tors. theta energy: -43.383 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: 5 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -598.333399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.333399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.333399 (E_RNA) where: Base-Base interactions energy: -376.671 where: short stacking energy: -182.592 Base-Backbone interact. energy: -0.846 local terms energy: -220.816506 where: bonds (distance) C4'-P energy: -62.514 bonds (distance) P-C4' energy: -45.950 flat angles C4'-P-C4' energy: -59.686 flat angles P-C4'-P energy: -35.524 tors. eta vs tors. theta energy: -17.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -472.960712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.960712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.960712 (E_RNA) where: Base-Base interactions energy: -256.525 where: short stacking energy: -129.131 Base-Backbone interact. energy: -1.615 local terms energy: -214.820927 where: bonds (distance) C4'-P energy: -61.255 bonds (distance) P-C4' energy: -67.112 flat angles C4'-P-C4' energy: -58.541 flat angles P-C4'-P energy: -34.104 tors. eta vs tors. theta energy: 6.191 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: 9 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1386.750364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.750364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.750364 (E_RNA) where: Base-Base interactions energy: -962.287 where: short stacking energy: -421.969 Base-Backbone interact. energy: -2.136 local terms energy: -422.327132 where: bonds (distance) C4'-P energy: -70.744 bonds (distance) P-C4' energy: -78.544 flat angles C4'-P-C4' energy: -88.490 flat angles P-C4'-P energy: -63.439 tors. eta vs tors. theta energy: -121.110 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: 8 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1369.480725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.480725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.480725 (E_RNA) where: Base-Base interactions energy: -960.239 where: short stacking energy: -386.822 Base-Backbone interact. energy: -2.523 local terms energy: -406.719133 where: bonds (distance) C4'-P energy: -74.666 bonds (distance) P-C4' energy: -77.087 flat angles C4'-P-C4' energy: -87.038 flat angles P-C4'-P energy: -54.257 tors. eta vs tors. theta energy: -113.671 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: 3 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1303.168774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.168774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.168774 (E_RNA) where: Base-Base interactions energy: -909.156 where: short stacking energy: -377.862 Base-Backbone interact. energy: -3.034 local terms energy: -390.979411 where: bonds (distance) C4'-P energy: -80.767 bonds (distance) P-C4' energy: -78.785 flat angles C4'-P-C4' energy: -75.002 flat angles P-C4'-P energy: -57.009 tors. eta vs tors. theta energy: -99.415 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: 4, replica: 10 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1298.832114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.832114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.832114 (E_RNA) where: Base-Base interactions energy: -906.862 where: short stacking energy: -390.468 Base-Backbone interact. energy: -0.647 local terms energy: -391.323003 where: bonds (distance) C4'-P energy: -64.777 bonds (distance) P-C4' energy: -71.749 flat angles C4'-P-C4' energy: -86.842 flat angles P-C4'-P energy: -55.819 tors. eta vs tors. theta energy: -112.136 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: 6 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1203.949263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.949263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.949263 (E_RNA) where: Base-Base interactions energy: -812.529 where: short stacking energy: -363.342 Base-Backbone interact. energy: 0.292 local terms energy: -391.711674 where: bonds (distance) C4'-P energy: -61.223 bonds (distance) P-C4' energy: -82.075 flat angles C4'-P-C4' energy: -77.353 flat angles P-C4'-P energy: -54.522 tors. eta vs tors. theta energy: -116.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1032.813548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.813548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.813548 (E_RNA) where: Base-Base interactions energy: -692.530 where: short stacking energy: -313.131 Base-Backbone interact. energy: -0.245 local terms energy: -340.039290 where: bonds (distance) C4'-P energy: -71.303 bonds (distance) P-C4' energy: -74.473 flat angles C4'-P-C4' energy: -68.410 flat angles P-C4'-P energy: -52.736 tors. eta vs tors. theta energy: -73.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -906.114168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.114168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.114168 (E_RNA) where: Base-Base interactions energy: -587.387 where: short stacking energy: -274.876 Base-Backbone interact. energy: -0.622 local terms energy: -318.104888 where: bonds (distance) C4'-P energy: -65.411 bonds (distance) P-C4' energy: -64.088 flat angles C4'-P-C4' energy: -64.664 flat angles P-C4'-P energy: -54.513 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: 8, replica: 1 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -674.282740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.282740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.282740 (E_RNA) where: Base-Base interactions energy: -404.336 where: short stacking energy: -176.448 Base-Backbone interact. energy: -1.313 local terms energy: -268.633756 where: bonds (distance) C4'-P energy: -65.750 bonds (distance) P-C4' energy: -68.861 flat angles C4'-P-C4' energy: -66.726 flat angles P-C4'-P energy: -41.438 tors. eta vs tors. theta energy: -25.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -600.614437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.614437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.614437 (E_RNA) where: Base-Base interactions energy: -347.119 where: short stacking energy: -186.354 Base-Backbone interact. energy: -1.903 local terms energy: -251.592134 where: bonds (distance) C4'-P energy: -58.861 bonds (distance) P-C4' energy: -74.563 flat angles C4'-P-C4' energy: -64.331 flat angles P-C4'-P energy: -32.698 tors. eta vs tors. theta energy: -21.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -498.395471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.395471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.395471 (E_RNA) where: Base-Base interactions energy: -274.845 where: short stacking energy: -155.060 Base-Backbone interact. energy: -2.548 local terms energy: -221.001929 where: bonds (distance) C4'-P energy: -54.454 bonds (distance) P-C4' energy: -67.386 flat angles C4'-P-C4' energy: -58.672 flat angles P-C4'-P energy: -29.582 tors. eta vs tors. theta energy: -10.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1393.128194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.128194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.128194 (E_RNA) where: Base-Base interactions energy: -952.138 where: short stacking energy: -415.939 Base-Backbone interact. energy: -0.674 local terms energy: -440.315375 where: bonds (distance) C4'-P energy: -76.302 bonds (distance) P-C4' energy: -85.393 flat angles C4'-P-C4' energy: -91.248 flat angles P-C4'-P energy: -70.051 tors. eta vs tors. theta energy: -117.322 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: 2, replica: 8 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1361.251115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.251115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.251115 (E_RNA) where: Base-Base interactions energy: -968.157 where: short stacking energy: -401.311 Base-Backbone interact. energy: -1.894 local terms energy: -391.200266 where: bonds (distance) C4'-P energy: -64.778 bonds (distance) P-C4' energy: -79.167 flat angles C4'-P-C4' energy: -78.924 flat angles P-C4'-P energy: -55.940 tors. eta vs tors. theta energy: -112.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1327.566653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.566653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.566653 (E_RNA) where: Base-Base interactions energy: -912.115 where: short stacking energy: -400.860 Base-Backbone interact. energy: -0.247 local terms energy: -415.204408 where: bonds (distance) C4'-P energy: -79.384 bonds (distance) P-C4' energy: -75.453 flat angles C4'-P-C4' energy: -87.690 flat angles P-C4'-P energy: -64.521 tors. eta vs tors. theta energy: -108.157 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: 4, replica: 3 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1298.116532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.116532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.116532 (E_RNA) where: Base-Base interactions energy: -916.310 where: short stacking energy: -387.032 Base-Backbone interact. energy: -1.335 local terms energy: -380.471397 where: bonds (distance) C4'-P energy: -59.725 bonds (distance) P-C4' energy: -77.848 flat angles C4'-P-C4' energy: -83.212 flat angles P-C4'-P energy: -55.644 tors. eta vs tors. theta energy: -104.043 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: 6 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1182.602821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.602821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.602821 (E_RNA) where: Base-Base interactions energy: -805.180 where: short stacking energy: -364.576 Base-Backbone interact. energy: 0.222 local terms energy: -377.644625 where: bonds (distance) C4'-P energy: -66.999 bonds (distance) P-C4' energy: -78.459 flat angles C4'-P-C4' energy: -78.695 flat angles P-C4'-P energy: -53.834 tors. eta vs tors. theta energy: -99.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1036.802254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.802254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.802254 (E_RNA) where: Base-Base interactions energy: -716.140 where: short stacking energy: -342.716 Base-Backbone interact. energy: 2.714 local terms energy: -323.375544 where: bonds (distance) C4'-P energy: -46.856 bonds (distance) P-C4' energy: -66.556 flat angles C4'-P-C4' energy: -76.316 flat angles P-C4'-P energy: -47.231 tors. eta vs tors. theta energy: -86.417 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: 7, replica: 4 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -938.570192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.570192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.570192 (E_RNA) where: Base-Base interactions energy: -600.818 where: short stacking energy: -268.034 Base-Backbone interact. energy: 0.501 local terms energy: -338.253376 where: bonds (distance) C4'-P energy: -63.478 bonds (distance) P-C4' energy: -68.797 flat angles C4'-P-C4' energy: -80.804 flat angles P-C4'-P energy: -49.449 tors. eta vs tors. theta energy: -75.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -705.149512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.149512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.149512 (E_RNA) where: Base-Base interactions energy: -429.494 where: short stacking energy: -173.591 Base-Backbone interact. energy: 1.377 local terms energy: -277.033043 where: bonds (distance) C4'-P energy: -66.232 bonds (distance) P-C4' energy: -71.579 flat angles C4'-P-C4' energy: -66.274 flat angles P-C4'-P energy: -39.343 tors. eta vs tors. theta energy: -33.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -616.598094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.598094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.598094 (E_RNA) where: Base-Base interactions energy: -364.958 where: short stacking energy: -156.475 Base-Backbone interact. energy: 1.396 local terms energy: -253.035593 where: bonds (distance) C4'-P energy: -57.230 bonds (distance) P-C4' energy: -62.284 flat angles C4'-P-C4' energy: -54.457 flat angles P-C4'-P energy: -42.728 tors. eta vs tors. theta energy: -36.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -467.130527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.130527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.130527 (E_RNA) where: Base-Base interactions energy: -257.342 where: short stacking energy: -124.572 Base-Backbone interact. energy: 1.792 local terms energy: -211.580882 where: bonds (distance) C4'-P energy: -63.326 bonds (distance) P-C4' energy: -56.070 flat angles C4'-P-C4' energy: -44.641 flat angles P-C4'-P energy: -41.779 tors. eta vs tors. theta energy: -5.764 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: 1, replica: 9 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1414.929057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.929057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.929057 (E_RNA) where: Base-Base interactions energy: -977.550 where: short stacking energy: -426.188 Base-Backbone interact. energy: -2.787 local terms energy: -434.592059 where: bonds (distance) C4'-P energy: -83.369 bonds (distance) P-C4' energy: -79.736 flat angles C4'-P-C4' energy: -86.449 flat angles P-C4'-P energy: -64.225 tors. eta vs tors. theta energy: -120.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1370.783115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.783115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.783115 (E_RNA) where: Base-Base interactions energy: -950.218 where: short stacking energy: -387.406 Base-Backbone interact. energy: -1.647 local terms energy: -418.918751 where: bonds (distance) C4'-P energy: -83.702 bonds (distance) P-C4' energy: -80.164 flat angles C4'-P-C4' energy: -92.787 flat angles P-C4'-P energy: -49.837 tors. eta vs tors. theta energy: -112.430 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: 3, replica: 10 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1335.278352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.278352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.278352 (E_RNA) where: Base-Base interactions energy: -914.820 where: short stacking energy: -392.993 Base-Backbone interact. energy: 1.254 local terms energy: -421.711626 where: bonds (distance) C4'-P energy: -73.784 bonds (distance) P-C4' energy: -85.248 flat angles C4'-P-C4' energy: -88.481 flat angles P-C4'-P energy: -63.810 tors. eta vs tors. theta energy: -110.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1249.284652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.284652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.284652 (E_RNA) where: Base-Base interactions energy: -872.614 where: short stacking energy: -364.304 Base-Backbone interact. energy: -3.689 local terms energy: -372.981912 where: bonds (distance) C4'-P energy: -62.464 bonds (distance) P-C4' energy: -84.105 flat angles C4'-P-C4' energy: -82.669 flat angles P-C4'-P energy: -53.317 tors. eta vs tors. theta energy: -90.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1216.799425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.799425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.799425 (E_RNA) where: Base-Base interactions energy: -816.624 where: short stacking energy: -375.425 Base-Backbone interact. energy: -1.130 local terms energy: -399.045725 where: bonds (distance) C4'-P energy: -67.633 bonds (distance) P-C4' energy: -78.950 flat angles C4'-P-C4' energy: -79.087 flat angles P-C4'-P energy: -58.841 tors. eta vs tors. theta energy: -114.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1096.357975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.357975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.357975 (E_RNA) where: Base-Base interactions energy: -729.871 where: short stacking energy: -327.020 Base-Backbone interact. energy: -0.847 local terms energy: -365.640542 where: bonds (distance) C4'-P energy: -71.205 bonds (distance) P-C4' energy: -76.217 flat angles C4'-P-C4' energy: -81.539 flat angles P-C4'-P energy: -44.250 tors. eta vs tors. theta energy: -92.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -918.743472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.743472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.743472 (E_RNA) where: Base-Base interactions energy: -592.449 where: short stacking energy: -269.442 Base-Backbone interact. energy: 0.543 local terms energy: -326.838031 where: bonds (distance) C4'-P energy: -68.550 bonds (distance) P-C4' energy: -74.866 flat angles C4'-P-C4' energy: -65.560 flat angles P-C4'-P energy: -51.452 tors. eta vs tors. theta energy: -66.411 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: 8, replica: 1 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -743.172211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.172211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.172211 (E_RNA) where: Base-Base interactions energy: -468.432 where: short stacking energy: -213.035 Base-Backbone interact. energy: 3.175 local terms energy: -277.915705 where: bonds (distance) C4'-P energy: -63.516 bonds (distance) P-C4' energy: -81.284 flat angles C4'-P-C4' energy: -58.471 flat angles P-C4'-P energy: -40.685 tors. eta vs tors. theta energy: -33.960 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: 9, replica: 5 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -642.936404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.936404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.936404 (E_RNA) where: Base-Base interactions energy: -371.599 where: short stacking energy: -199.129 Base-Backbone interact. energy: -0.955 local terms energy: -270.382825 where: bonds (distance) C4'-P energy: -64.401 bonds (distance) P-C4' energy: -76.200 flat angles C4'-P-C4' energy: -66.415 flat angles P-C4'-P energy: -33.971 tors. eta vs tors. theta energy: -29.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -446.518693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.518693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.518693 (E_RNA) where: Base-Base interactions energy: -224.198 where: short stacking energy: -132.333 Base-Backbone interact. energy: 1.599 local terms energy: -223.919240 where: bonds (distance) C4'-P energy: -70.761 bonds (distance) P-C4' energy: -58.367 flat angles C4'-P-C4' energy: -63.219 flat angles P-C4'-P energy: -27.656 tors. eta vs tors. theta energy: -3.916 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: 8 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1377.674244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.674244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.674244 (E_RNA) where: Base-Base interactions energy: -980.070 where: short stacking energy: -391.890 Base-Backbone interact. energy: -3.697 local terms energy: -393.907467 where: bonds (distance) C4'-P energy: -69.220 bonds (distance) P-C4' energy: -77.014 flat angles C4'-P-C4' energy: -83.383 flat angles P-C4'-P energy: -51.224 tors. eta vs tors. theta energy: -113.066 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: 2, replica: 9 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1375.199840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.199840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.199840 (E_RNA) where: Base-Base interactions energy: -949.004 where: short stacking energy: -406.502 Base-Backbone interact. energy: 0.004 local terms energy: -426.200399 where: bonds (distance) C4'-P energy: -78.142 bonds (distance) P-C4' energy: -74.038 flat angles C4'-P-C4' energy: -90.693 flat angles P-C4'-P energy: -61.921 tors. eta vs tors. theta energy: -121.406 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: 3, replica: 10 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1332.483141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.483141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.483141 (E_RNA) where: Base-Base interactions energy: -930.071 where: short stacking energy: -399.786 Base-Backbone interact. energy: -1.920 local terms energy: -400.492122 where: bonds (distance) C4'-P energy: -83.196 bonds (distance) P-C4' energy: -72.814 flat angles C4'-P-C4' energy: -78.306 flat angles P-C4'-P energy: -50.294 tors. eta vs tors. theta energy: -115.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1263.109345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.109345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.109345 (E_RNA) where: Base-Base interactions energy: -896.696 where: short stacking energy: -345.633 Base-Backbone interact. energy: -1.135 local terms energy: -365.277670 where: bonds (distance) C4'-P energy: -76.308 bonds (distance) P-C4' energy: -62.645 flat angles C4'-P-C4' energy: -87.056 flat angles P-C4'-P energy: -53.690 tors. eta vs tors. theta energy: -85.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1208.955163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.955163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.955163 (E_RNA) where: Base-Base interactions energy: -813.316 where: short stacking energy: -355.388 Base-Backbone interact. energy: -0.414 local terms energy: -395.224631 where: bonds (distance) C4'-P energy: -80.362 bonds (distance) P-C4' energy: -76.146 flat angles C4'-P-C4' energy: -73.645 flat angles P-C4'-P energy: -60.840 tors. eta vs tors. theta energy: -104.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1056.992771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.992771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.992771 (E_RNA) where: Base-Base interactions energy: -713.591 where: short stacking energy: -304.257 Base-Backbone interact. energy: 0.283 local terms energy: -343.685076 where: bonds (distance) C4'-P energy: -54.191 bonds (distance) P-C4' energy: -70.846 flat angles C4'-P-C4' energy: -82.521 flat angles P-C4'-P energy: -53.759 tors. eta vs tors. theta energy: -82.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -927.101264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.101264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.101264 (E_RNA) where: Base-Base interactions energy: -603.644 where: short stacking energy: -276.120 Base-Backbone interact. energy: 3.066 local terms energy: -326.522679 where: bonds (distance) C4'-P energy: -75.645 bonds (distance) P-C4' energy: -63.004 flat angles C4'-P-C4' energy: -71.992 flat angles P-C4'-P energy: -45.699 tors. eta vs tors. theta energy: -70.183 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: 1 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -697.606675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.606675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.606675 (E_RNA) where: Base-Base interactions energy: -436.186 where: short stacking energy: -202.104 Base-Backbone interact. energy: -0.281 local terms energy: -261.139602 where: bonds (distance) C4'-P energy: -64.167 bonds (distance) P-C4' energy: -55.691 flat angles C4'-P-C4' energy: -69.214 flat angles P-C4'-P energy: -39.673 tors. eta vs tors. theta energy: -32.395 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: 5 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -635.422420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.422420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.422420 (E_RNA) where: Base-Base interactions energy: -381.365 where: short stacking energy: -204.782 Base-Backbone interact. energy: -1.861 local terms energy: -252.196764 where: bonds (distance) C4'-P energy: -64.664 bonds (distance) P-C4' energy: -72.256 flat angles C4'-P-C4' energy: -47.276 flat angles P-C4'-P energy: -42.076 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: 10, replica: 2 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -409.660092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.660092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.660092 (E_RNA) where: Base-Base interactions energy: -183.788 where: short stacking energy: -124.624 Base-Backbone interact. energy: -3.015 local terms energy: -222.857805 where: bonds (distance) C4'-P energy: -58.983 bonds (distance) P-C4' energy: -67.947 flat angles C4'-P-C4' energy: -58.434 flat angles P-C4'-P energy: -43.198 tors. eta vs tors. theta energy: 5.704 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: 8 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1381.071603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.071603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.071603 (E_RNA) where: Base-Base interactions energy: -972.495 where: short stacking energy: -383.630 Base-Backbone interact. energy: -1.948 local terms energy: -406.628623 where: bonds (distance) C4'-P energy: -63.981 bonds (distance) P-C4' energy: -84.549 flat angles C4'-P-C4' energy: -85.855 flat angles P-C4'-P energy: -62.892 tors. eta vs tors. theta energy: -109.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1388.213676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.213676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.213676 (E_RNA) where: Base-Base interactions energy: -964.958 where: short stacking energy: -396.804 Base-Backbone interact. energy: -1.430 local terms energy: -421.825835 where: bonds (distance) C4'-P energy: -69.003 bonds (distance) P-C4' energy: -82.712 flat angles C4'-P-C4' energy: -89.622 flat angles P-C4'-P energy: -59.349 tors. eta vs tors. theta energy: -121.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1357.461145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.461145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.461145 (E_RNA) where: Base-Base interactions energy: -937.612 where: short stacking energy: -410.609 Base-Backbone interact. energy: -3.757 local terms energy: -416.092057 where: bonds (distance) C4'-P energy: -61.834 bonds (distance) P-C4' energy: -85.101 flat angles C4'-P-C4' energy: -89.695 flat angles P-C4'-P energy: -55.616 tors. eta vs tors. theta energy: -123.846 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: 3 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1279.807717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.807717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.807717 (E_RNA) where: Base-Base interactions energy: -915.928 where: short stacking energy: -364.113 Base-Backbone interact. energy: -3.162 local terms energy: -360.718082 where: bonds (distance) C4'-P energy: -75.002 bonds (distance) P-C4' energy: -61.002 flat angles C4'-P-C4' energy: -79.933 flat angles P-C4'-P energy: -51.503 tors. eta vs tors. theta energy: -93.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1166.914561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.914561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.914561 (E_RNA) where: Base-Base interactions energy: -786.572 where: short stacking energy: -354.711 Base-Backbone interact. energy: -2.394 local terms energy: -377.948516 where: bonds (distance) C4'-P energy: -80.705 bonds (distance) P-C4' energy: -77.059 flat angles C4'-P-C4' energy: -78.743 flat angles P-C4'-P energy: -46.063 tors. eta vs tors. theta energy: -95.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1020.702988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.702988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.702988 (E_RNA) where: Base-Base interactions energy: -666.127 where: short stacking energy: -297.356 Base-Backbone interact. energy: -3.102 local terms energy: -351.474100 where: bonds (distance) C4'-P energy: -74.643 bonds (distance) P-C4' energy: -66.200 flat angles C4'-P-C4' energy: -78.011 flat angles P-C4'-P energy: -55.549 tors. eta vs tors. theta energy: -77.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -938.024004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.024004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.024004 (E_RNA) where: Base-Base interactions energy: -587.226 where: short stacking energy: -263.175 Base-Backbone interact. energy: -0.897 local terms energy: -349.901127 where: bonds (distance) C4'-P energy: -77.155 bonds (distance) P-C4' energy: -63.806 flat angles C4'-P-C4' energy: -85.464 flat angles P-C4'-P energy: -53.720 tors. eta vs tors. theta energy: -69.756 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: 5 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -724.190563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.190563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.190563 (E_RNA) where: Base-Base interactions energy: -432.618 where: short stacking energy: -199.809 Base-Backbone interact. energy: -0.353 local terms energy: -291.219687 where: bonds (distance) C4'-P energy: -63.888 bonds (distance) P-C4' energy: -83.276 flat angles C4'-P-C4' energy: -67.399 flat angles P-C4'-P energy: -44.989 tors. eta vs tors. theta energy: -31.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -664.029594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.029594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.029594 (E_RNA) where: Base-Base interactions energy: -402.341 where: short stacking energy: -201.726 Base-Backbone interact. energy: 1.104 local terms energy: -262.792030 where: bonds (distance) C4'-P energy: -61.519 bonds (distance) P-C4' energy: -74.339 flat angles C4'-P-C4' energy: -46.216 flat angles P-C4'-P energy: -43.092 tors. eta vs tors. theta energy: -37.627 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: 10, replica: 2 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -413.622746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.622746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.622746 (E_RNA) where: Base-Base interactions energy: -175.705 where: short stacking energy: -105.655 Base-Backbone interact. energy: -0.038 local terms energy: -237.879961 where: bonds (distance) C4'-P energy: -61.779 bonds (distance) P-C4' energy: -69.319 flat angles C4'-P-C4' energy: -67.841 flat angles P-C4'-P energy: -42.871 tors. eta vs tors. theta energy: 3.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1385.712517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.712517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.712517 (E_RNA) where: Base-Base interactions energy: -979.715 where: short stacking energy: -403.103 Base-Backbone interact. energy: -0.252 local terms energy: -405.745433 where: bonds (distance) C4'-P energy: -75.926 bonds (distance) P-C4' energy: -67.909 flat angles C4'-P-C4' energy: -86.130 flat angles P-C4'-P energy: -56.392 tors. eta vs tors. theta energy: -119.389 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: 8 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1341.150546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.150546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.150546 (E_RNA) where: Base-Base interactions energy: -931.435 where: short stacking energy: -378.889 Base-Backbone interact. energy: -3.215 local terms energy: -406.500392 where: bonds (distance) C4'-P energy: -71.352 bonds (distance) P-C4' energy: -83.260 flat angles C4'-P-C4' energy: -87.775 flat angles P-C4'-P energy: -55.273 tors. eta vs tors. theta energy: -108.840 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: 150 Temperature: 1.000000 Total energy: -1294.081880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.081880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.081880 (E_RNA) where: Base-Base interactions energy: -909.289 where: short stacking energy: -399.429 Base-Backbone interact. energy: -0.130 local terms energy: -384.662857 where: bonds (distance) C4'-P energy: -59.300 bonds (distance) P-C4' energy: -71.436 flat angles C4'-P-C4' energy: -84.745 flat angles P-C4'-P energy: -52.635 tors. eta vs tors. theta energy: -116.546 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: 3 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1246.153225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.153225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.153225 (E_RNA) where: Base-Base interactions energy: -862.337 where: short stacking energy: -348.845 Base-Backbone interact. energy: -2.205 local terms energy: -381.610726 where: bonds (distance) C4'-P energy: -78.348 bonds (distance) P-C4' energy: -80.394 flat angles C4'-P-C4' energy: -76.433 flat angles P-C4'-P energy: -51.462 tors. eta vs tors. theta energy: -94.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1157.354775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.354775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.354775 (E_RNA) where: Base-Base interactions energy: -795.079 where: short stacking energy: -348.468 Base-Backbone interact. energy: 0.124 local terms energy: -362.400208 where: bonds (distance) C4'-P energy: -72.047 bonds (distance) P-C4' energy: -62.999 flat angles C4'-P-C4' energy: -71.745 flat angles P-C4'-P energy: -56.273 tors. eta vs tors. theta energy: -99.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1010.272767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.272767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.272767 (E_RNA) where: Base-Base interactions energy: -676.621 where: short stacking energy: -299.067 Base-Backbone interact. energy: -2.957 local terms energy: -330.695087 where: bonds (distance) C4'-P energy: -66.683 bonds (distance) P-C4' energy: -77.662 flat angles C4'-P-C4' energy: -67.941 flat angles P-C4'-P energy: -48.552 tors. eta vs tors. theta energy: -69.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -956.432003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.432003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.432003 (E_RNA) where: Base-Base interactions energy: -615.694 where: short stacking energy: -285.403 Base-Backbone interact. energy: 0.954 local terms energy: -341.692035 where: bonds (distance) C4'-P energy: -77.168 bonds (distance) P-C4' energy: -67.400 flat angles C4'-P-C4' energy: -81.075 flat angles P-C4'-P energy: -47.619 tors. eta vs tors. theta energy: -68.430 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: 5 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -694.585249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.585249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.585249 (E_RNA) where: Base-Base interactions energy: -427.565 where: short stacking energy: -217.521 Base-Backbone interact. energy: 0.791 local terms energy: -267.811391 where: bonds (distance) C4'-P energy: -60.326 bonds (distance) P-C4' energy: -61.236 flat angles C4'-P-C4' energy: -69.987 flat angles P-C4'-P energy: -35.436 tors. eta vs tors. theta energy: -40.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -608.650967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.650967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.650967 (E_RNA) where: Base-Base interactions energy: -383.810 where: short stacking energy: -203.043 Base-Backbone interact. energy: -0.274 local terms energy: -224.566812 where: bonds (distance) C4'-P energy: -49.275 bonds (distance) P-C4' energy: -61.852 flat angles C4'-P-C4' energy: -58.546 flat angles P-C4'-P energy: -36.230 tors. eta vs tors. theta energy: -18.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -415.719339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.719339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.719339 (E_RNA) where: Base-Base interactions energy: -191.805 where: short stacking energy: -118.136 Base-Backbone interact. energy: -1.779 local terms energy: -222.135388 where: bonds (distance) C4'-P energy: -73.981 bonds (distance) P-C4' energy: -67.771 flat angles C4'-P-C4' energy: -56.844 flat angles P-C4'-P energy: -31.134 tors. eta vs tors. theta energy: 7.594 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: 1, replica: 10 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1418.500554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.500554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.500554 (E_RNA) where: Base-Base interactions energy: -1000.821 where: short stacking energy: -424.544 Base-Backbone interact. energy: -0.540 local terms energy: -417.139798 where: bonds (distance) C4'-P energy: -72.422 bonds (distance) P-C4' energy: -75.447 flat angles C4'-P-C4' energy: -92.840 flat angles P-C4'-P energy: -55.562 tors. eta vs tors. theta energy: -120.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1297.858697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.858697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.858697 (E_RNA) where: Base-Base interactions energy: -906.030 where: short stacking energy: -383.147 Base-Backbone interact. energy: -3.143 local terms energy: -388.686395 where: bonds (distance) C4'-P energy: -68.097 bonds (distance) P-C4' energy: -83.862 flat angles C4'-P-C4' energy: -82.051 flat angles P-C4'-P energy: -47.410 tors. eta vs tors. theta energy: -107.267 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: 151 Temperature: 1.000000 Total energy: -1331.435771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.435771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.435771 (E_RNA) where: Base-Base interactions energy: -914.770 where: short stacking energy: -389.466 Base-Backbone interact. energy: -1.586 local terms energy: -415.079177 where: bonds (distance) C4'-P energy: -81.514 bonds (distance) P-C4' energy: -77.060 flat angles C4'-P-C4' energy: -76.651 flat angles P-C4'-P energy: -60.422 tors. eta vs tors. theta energy: -119.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1224.010682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.010682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.010682 (E_RNA) where: Base-Base interactions energy: -848.813 where: short stacking energy: -347.431 Base-Backbone interact. energy: -2.656 local terms energy: -372.541213 where: bonds (distance) C4'-P energy: -69.645 bonds (distance) P-C4' energy: -68.900 flat angles C4'-P-C4' energy: -73.396 flat angles P-C4'-P energy: -60.831 tors. eta vs tors. theta energy: -99.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1180.557808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.557808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.557808 (E_RNA) where: Base-Base interactions energy: -796.680 where: short stacking energy: -369.417 Base-Backbone interact. energy: -0.627 local terms energy: -383.250840 where: bonds (distance) C4'-P energy: -63.797 bonds (distance) P-C4' energy: -82.064 flat angles C4'-P-C4' energy: -80.274 flat angles P-C4'-P energy: -54.383 tors. eta vs tors. theta energy: -102.733 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: 7 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1053.593188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.593188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.593188 (E_RNA) where: Base-Base interactions energy: -704.327 where: short stacking energy: -301.620 Base-Backbone interact. energy: -2.781 local terms energy: -346.484990 where: bonds (distance) C4'-P energy: -63.219 bonds (distance) P-C4' energy: -75.733 flat angles C4'-P-C4' energy: -84.044 flat angles P-C4'-P energy: -43.472 tors. eta vs tors. theta energy: -80.017 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: 4 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -921.612326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.612326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.612326 (E_RNA) where: Base-Base interactions energy: -600.607 where: short stacking energy: -297.927 Base-Backbone interact. energy: -2.145 local terms energy: -318.860404 where: bonds (distance) C4'-P energy: -49.815 bonds (distance) P-C4' energy: -73.422 flat angles C4'-P-C4' energy: -81.873 flat angles P-C4'-P energy: -45.481 tors. eta vs tors. theta energy: -68.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -660.999838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.999838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.999838 (E_RNA) where: Base-Base interactions energy: -397.912 where: short stacking energy: -199.690 Base-Backbone interact. energy: 2.912 local terms energy: -266.000282 where: bonds (distance) C4'-P energy: -63.843 bonds (distance) P-C4' energy: -73.833 flat angles C4'-P-C4' energy: -60.078 flat angles P-C4'-P energy: -28.340 tors. eta vs tors. theta energy: -39.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -671.114883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.114883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.114883 (E_RNA) where: Base-Base interactions energy: -407.314 where: short stacking energy: -211.856 Base-Backbone interact. energy: 0.805 local terms energy: -264.606043 where: bonds (distance) C4'-P energy: -58.260 bonds (distance) P-C4' energy: -68.338 flat angles C4'-P-C4' energy: -60.751 flat angles P-C4'-P energy: -35.705 tors. eta vs tors. theta energy: -41.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -408.255632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.255632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.255632 (E_RNA) where: Base-Base interactions energy: -177.576 where: short stacking energy: -118.544 Base-Backbone interact. energy: 0.651 local terms energy: -231.330605 where: bonds (distance) C4'-P energy: -63.843 bonds (distance) P-C4' energy: -69.726 flat angles C4'-P-C4' energy: -67.626 flat angles P-C4'-P energy: -25.545 tors. eta vs tors. theta energy: -4.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1429.128201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.128201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.128201 (E_RNA) where: Base-Base interactions energy: -995.128 where: short stacking energy: -421.776 Base-Backbone interact. energy: -1.650 local terms energy: -432.350516 where: bonds (distance) C4'-P energy: -75.918 bonds (distance) P-C4' energy: -85.039 flat angles C4'-P-C4' energy: -85.376 flat angles P-C4'-P energy: -68.935 tors. eta vs tors. theta energy: -117.082 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: 2, replica: 8 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1306.743753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.743753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.743753 (E_RNA) where: Base-Base interactions energy: -896.314 where: short stacking energy: -366.636 Base-Backbone interact. energy: -3.139 local terms energy: -407.290198 where: bonds (distance) C4'-P energy: -70.618 bonds (distance) P-C4' energy: -77.542 flat angles C4'-P-C4' energy: -96.781 flat angles P-C4'-P energy: -57.333 tors. eta vs tors. theta energy: -105.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1347.266125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.266125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.266125 (E_RNA) where: Base-Base interactions energy: -942.798 where: short stacking energy: -409.437 Base-Backbone interact. energy: -1.369 local terms energy: -403.099706 where: bonds (distance) C4'-P energy: -76.446 bonds (distance) P-C4' energy: -73.414 flat angles C4'-P-C4' energy: -80.556 flat angles P-C4'-P energy: -53.499 tors. eta vs tors. theta energy: -119.184 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: 4, replica: 3 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1205.696066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.696066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.696066 (E_RNA) where: Base-Base interactions energy: -814.733 where: short stacking energy: -349.957 Base-Backbone interact. energy: -2.893 local terms energy: -388.070890 where: bonds (distance) C4'-P energy: -76.807 bonds (distance) P-C4' energy: -75.346 flat angles C4'-P-C4' energy: -83.816 flat angles P-C4'-P energy: -55.840 tors. eta vs tors. theta energy: -96.261 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: 6 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1140.101173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.101173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.101173 (E_RNA) where: Base-Base interactions energy: -771.507 where: short stacking energy: -352.570 Base-Backbone interact. energy: 1.580 local terms energy: -370.174791 where: bonds (distance) C4'-P energy: -69.042 bonds (distance) P-C4' energy: -76.182 flat angles C4'-P-C4' energy: -88.435 flat angles P-C4'-P energy: -39.443 tors. eta vs tors. theta energy: -97.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1052.839785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.839785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.839785 (E_RNA) where: Base-Base interactions energy: -713.310 where: short stacking energy: -288.690 Base-Backbone interact. energy: -2.970 local terms energy: -336.560097 where: bonds (distance) C4'-P energy: -75.174 bonds (distance) P-C4' energy: -66.248 flat angles C4'-P-C4' energy: -72.239 flat angles P-C4'-P energy: -44.605 tors. eta vs tors. theta energy: -78.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -882.310302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.310302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.310302 (E_RNA) where: Base-Base interactions energy: -561.237 where: short stacking energy: -256.909 Base-Backbone interact. energy: -0.307 local terms energy: -320.766326 where: bonds (distance) C4'-P energy: -70.803 bonds (distance) P-C4' energy: -68.919 flat angles C4'-P-C4' energy: -83.008 flat angles P-C4'-P energy: -45.923 tors. eta vs tors. theta energy: -52.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -634.420279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.420279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.420279 (E_RNA) where: Base-Base interactions energy: -360.306 where: short stacking energy: -194.995 Base-Backbone interact. energy: -0.741 local terms energy: -273.373417 where: bonds (distance) C4'-P energy: -65.643 bonds (distance) P-C4' energy: -61.007 flat angles C4'-P-C4' energy: -67.182 flat angles P-C4'-P energy: -43.463 tors. eta vs tors. theta energy: -36.078 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: 152 Temperature: 1.300000 Total energy: -677.369551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.369551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.369551 (E_RNA) where: Base-Base interactions energy: -410.816 where: short stacking energy: -200.942 Base-Backbone interact. energy: 4.060 local terms energy: -270.613401 where: bonds (distance) C4'-P energy: -64.018 bonds (distance) P-C4' energy: -71.836 flat angles C4'-P-C4' energy: -64.477 flat angles P-C4'-P energy: -46.488 tors. eta vs tors. theta energy: -23.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -369.394506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.394506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.394506 (E_RNA) where: Base-Base interactions energy: -166.050 where: short stacking energy: -94.360 Base-Backbone interact. energy: -1.597 local terms energy: -201.748008 where: bonds (distance) C4'-P energy: -62.670 bonds (distance) P-C4' energy: -70.115 flat angles C4'-P-C4' energy: -57.289 flat angles P-C4'-P energy: -38.067 tors. eta vs tors. theta energy: 26.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1416.473277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.473277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.473277 (E_RNA) where: Base-Base interactions energy: -981.243 where: short stacking energy: -392.614 Base-Backbone interact. energy: -0.184 local terms energy: -435.045928 where: bonds (distance) C4'-P energy: -82.582 bonds (distance) P-C4' energy: -84.007 flat angles C4'-P-C4' energy: -91.732 flat angles P-C4'-P energy: -64.523 tors. eta vs tors. theta energy: -112.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1383.617523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.617523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.617523 (E_RNA) where: Base-Base interactions energy: -940.091 where: short stacking energy: -410.423 Base-Backbone interact. energy: -1.461 local terms energy: -442.064733 where: bonds (distance) C4'-P energy: -75.153 bonds (distance) P-C4' energy: -84.756 flat angles C4'-P-C4' energy: -89.236 flat angles P-C4'-P energy: -66.791 tors. eta vs tors. theta energy: -126.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1276.144917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.144917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.144917 (E_RNA) where: Base-Base interactions energy: -871.794 where: short stacking energy: -363.958 Base-Backbone interact. energy: -1.132 local terms energy: -403.219109 where: bonds (distance) C4'-P energy: -81.671 bonds (distance) P-C4' energy: -75.316 flat angles C4'-P-C4' energy: -83.886 flat angles P-C4'-P energy: -59.472 tors. eta vs tors. theta energy: -102.873 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: 3 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1246.679164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.679164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.679164 (E_RNA) where: Base-Base interactions energy: -859.606 where: short stacking energy: -354.230 Base-Backbone interact. energy: -1.271 local terms energy: -385.801968 where: bonds (distance) C4'-P energy: -77.767 bonds (distance) P-C4' energy: -75.848 flat angles C4'-P-C4' energy: -82.916 flat angles P-C4'-P energy: -49.205 tors. eta vs tors. theta energy: -100.066 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: 6 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1144.989935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.989935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.989935 (E_RNA) where: Base-Base interactions energy: -786.030 where: short stacking energy: -348.938 Base-Backbone interact. energy: -2.137 local terms energy: -356.823129 where: bonds (distance) C4'-P energy: -64.267 bonds (distance) P-C4' energy: -66.316 flat angles C4'-P-C4' energy: -76.792 flat angles P-C4'-P energy: -44.905 tors. eta vs tors. theta energy: -104.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1067.479943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.479943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.479943 (E_RNA) where: Base-Base interactions energy: -734.668 where: short stacking energy: -322.157 Base-Backbone interact. energy: -1.468 local terms energy: -331.344048 where: bonds (distance) C4'-P energy: -51.422 bonds (distance) P-C4' energy: -64.951 flat angles C4'-P-C4' energy: -69.348 flat angles P-C4'-P energy: -55.306 tors. eta vs tors. theta energy: -90.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -896.864244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.864244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.864244 (E_RNA) where: Base-Base interactions energy: -605.293 where: short stacking energy: -268.984 Base-Backbone interact. energy: 4.796 local terms energy: -296.368131 where: bonds (distance) C4'-P energy: -66.605 bonds (distance) P-C4' energy: -79.398 flat angles C4'-P-C4' energy: -57.696 flat angles P-C4'-P energy: -41.391 tors. eta vs tors. theta energy: -51.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -670.105698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.105698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.105698 (E_RNA) where: Base-Base interactions energy: -393.669 where: short stacking energy: -204.887 Base-Backbone interact. energy: 0.828 local terms energy: -277.264873 where: bonds (distance) C4'-P energy: -70.754 bonds (distance) P-C4' energy: -74.663 flat angles C4'-P-C4' energy: -59.133 flat angles P-C4'-P energy: -37.529 tors. eta vs tors. theta energy: -35.185 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: 5 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -619.711327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.711327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.711327 (E_RNA) where: Base-Base interactions energy: -361.400 where: short stacking energy: -172.418 Base-Backbone interact. energy: -0.389 local terms energy: -257.922307 where: bonds (distance) C4'-P energy: -66.401 bonds (distance) P-C4' energy: -69.630 flat angles C4'-P-C4' energy: -63.927 flat angles P-C4'-P energy: -30.034 tors. eta vs tors. theta energy: -27.930 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: 10, replica: 2 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -414.841787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.841787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.841787 (E_RNA) where: Base-Base interactions energy: -180.143 where: short stacking energy: -121.567 Base-Backbone interact. energy: -1.557 local terms energy: -233.141598 where: bonds (distance) C4'-P energy: -59.581 bonds (distance) P-C4' energy: -61.831 flat angles C4'-P-C4' energy: -63.290 flat angles P-C4'-P energy: -42.096 tors. eta vs tors. theta energy: -6.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1399.367991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.367991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.367991 (E_RNA) where: Base-Base interactions energy: -975.456 where: short stacking energy: -427.056 Base-Backbone interact. energy: -1.180 local terms energy: -422.731264 where: bonds (distance) C4'-P energy: -77.776 bonds (distance) P-C4' energy: -69.761 flat angles C4'-P-C4' energy: -91.350 flat angles P-C4'-P energy: -63.163 tors. eta vs tors. theta energy: -120.681 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: 2, replica: 10 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1391.503095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.503095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.503095 (E_RNA) where: Base-Base interactions energy: -989.825 where: short stacking energy: -421.716 Base-Backbone interact. energy: 0.466 local terms energy: -402.143976 where: bonds (distance) C4'-P energy: -73.509 bonds (distance) P-C4' energy: -70.310 flat angles C4'-P-C4' energy: -85.038 flat angles P-C4'-P energy: -51.446 tors. eta vs tors. theta energy: -121.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1254.420521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.420521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.420521 (E_RNA) where: Base-Base interactions energy: -862.108 where: short stacking energy: -350.129 Base-Backbone interact. energy: -1.703 local terms energy: -390.609517 where: bonds (distance) C4'-P energy: -72.123 bonds (distance) P-C4' energy: -77.607 flat angles C4'-P-C4' energy: -86.292 flat angles P-C4'-P energy: -60.053 tors. eta vs tors. theta energy: -94.535 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: 4, replica: 8 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1268.205525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.205525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.205525 (E_RNA) where: Base-Base interactions energy: -885.509 where: short stacking energy: -360.125 Base-Backbone interact. energy: -3.380 local terms energy: -379.316419 where: bonds (distance) C4'-P energy: -77.072 bonds (distance) P-C4' energy: -77.384 flat angles C4'-P-C4' energy: -77.592 flat angles P-C4'-P energy: -47.610 tors. eta vs tors. theta energy: -99.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1181.903591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.903591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.903591 (E_RNA) where: Base-Base interactions energy: -802.751 where: short stacking energy: -342.492 Base-Backbone interact. energy: -2.002 local terms energy: -377.149959 where: bonds (distance) C4'-P energy: -70.317 bonds (distance) P-C4' energy: -70.625 flat angles C4'-P-C4' energy: -77.556 flat angles P-C4'-P energy: -54.201 tors. eta vs tors. theta energy: -104.452 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: 7 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1097.124118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.124118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.124118 (E_RNA) where: Base-Base interactions energy: -737.216 where: short stacking energy: -343.246 Base-Backbone interact. energy: 3.408 local terms energy: -363.315998 where: bonds (distance) C4'-P energy: -70.214 bonds (distance) P-C4' energy: -75.454 flat angles C4'-P-C4' energy: -81.950 flat angles P-C4'-P energy: -31.000 tors. eta vs tors. theta energy: -104.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -902.946571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.946571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.946571 (E_RNA) where: Base-Base interactions energy: -592.782 where: short stacking energy: -283.247 Base-Backbone interact. energy: -0.392 local terms energy: -309.772992 where: bonds (distance) C4'-P energy: -64.067 bonds (distance) P-C4' energy: -54.603 flat angles C4'-P-C4' energy: -70.224 flat angles P-C4'-P energy: -56.912 tors. eta vs tors. theta energy: -63.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -695.183514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.183514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.183514 (E_RNA) where: Base-Base interactions energy: -409.399 where: short stacking energy: -200.129 Base-Backbone interact. energy: 0.695 local terms energy: -286.479937 where: bonds (distance) C4'-P energy: -64.357 bonds (distance) P-C4' energy: -72.390 flat angles C4'-P-C4' energy: -73.452 flat angles P-C4'-P energy: -39.220 tors. eta vs tors. theta energy: -37.061 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: 5 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -681.582032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.582032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.582032 (E_RNA) where: Base-Base interactions energy: -412.028 where: short stacking energy: -198.365 Base-Backbone interact. energy: -1.386 local terms energy: -268.167845 where: bonds (distance) C4'-P energy: -53.625 bonds (distance) P-C4' energy: -63.884 flat angles C4'-P-C4' energy: -61.544 flat angles P-C4'-P energy: -45.945 tors. eta vs tors. theta energy: -43.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -413.088740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.088740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.088740 (E_RNA) where: Base-Base interactions energy: -184.263 where: short stacking energy: -119.856 Base-Backbone interact. energy: 1.272 local terms energy: -230.097394 where: bonds (distance) C4'-P energy: -56.575 bonds (distance) P-C4' energy: -77.651 flat angles C4'-P-C4' energy: -52.466 flat angles P-C4'-P energy: -40.345 tors. eta vs tors. theta energy: -3.061 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: 9 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1398.635126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.635126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.635126 (E_RNA) where: Base-Base interactions energy: -957.425 where: short stacking energy: -414.283 Base-Backbone interact. energy: 1.953 local terms energy: -443.162269 where: bonds (distance) C4'-P energy: -81.661 bonds (distance) P-C4' energy: -81.468 flat angles C4'-P-C4' energy: -90.386 flat angles P-C4'-P energy: -67.513 tors. eta vs tors. theta energy: -122.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1367.776653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.776653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.776653 (E_RNA) where: Base-Base interactions energy: -950.643 where: short stacking energy: -385.737 Base-Backbone interact. energy: -0.374 local terms energy: -416.759743 where: bonds (distance) C4'-P energy: -82.826 bonds (distance) P-C4' energy: -73.515 flat angles C4'-P-C4' energy: -90.158 flat angles P-C4'-P energy: -61.644 tors. eta vs tors. theta energy: -108.617 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: 3 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1286.026307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.026307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.026307 (E_RNA) where: Base-Base interactions energy: -877.414 where: short stacking energy: -382.240 Base-Backbone interact. energy: -1.232 local terms energy: -407.381016 where: bonds (distance) C4'-P energy: -76.791 bonds (distance) P-C4' energy: -70.605 flat angles C4'-P-C4' energy: -88.639 flat angles P-C4'-P energy: -61.002 tors. eta vs tors. theta energy: -110.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1236.705459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.705459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.705459 (E_RNA) where: Base-Base interactions energy: -869.136 where: short stacking energy: -357.218 Base-Backbone interact. energy: -1.529 local terms energy: -366.041067 where: bonds (distance) C4'-P energy: -73.546 bonds (distance) P-C4' energy: -71.277 flat angles C4'-P-C4' energy: -76.499 flat angles P-C4'-P energy: -51.879 tors. eta vs tors. theta energy: -92.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1168.041781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.041781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.041781 (E_RNA) where: Base-Base interactions energy: -781.954 where: short stacking energy: -351.349 Base-Backbone interact. energy: 2.797 local terms energy: -388.885357 where: bonds (distance) C4'-P energy: -64.183 bonds (distance) P-C4' energy: -82.090 flat angles C4'-P-C4' energy: -80.460 flat angles P-C4'-P energy: -54.514 tors. eta vs tors. theta energy: -107.638 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: 7 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1075.843925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.843925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.843925 (E_RNA) where: Base-Base interactions energy: -719.702 where: short stacking energy: -308.932 Base-Backbone interact. energy: 0.424 local terms energy: -356.565717 where: bonds (distance) C4'-P energy: -63.052 bonds (distance) P-C4' energy: -70.680 flat angles C4'-P-C4' energy: -76.616 flat angles P-C4'-P energy: -57.320 tors. eta vs tors. theta energy: -88.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -926.507819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.507819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.507819 (E_RNA) where: Base-Base interactions energy: -613.310 where: short stacking energy: -276.879 Base-Backbone interact. energy: 0.405 local terms energy: -313.603021 where: bonds (distance) C4'-P energy: -58.976 bonds (distance) P-C4' energy: -71.579 flat angles C4'-P-C4' energy: -67.017 flat angles P-C4'-P energy: -48.554 tors. eta vs tors. theta energy: -67.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -847.355464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.355464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.355464 (E_RNA) where: Base-Base interactions energy: -569.125 where: short stacking energy: -243.985 Base-Backbone interact. energy: 2.145 local terms energy: -280.376077 where: bonds (distance) C4'-P energy: -66.378 bonds (distance) P-C4' energy: -75.828 flat angles C4'-P-C4' energy: -61.828 flat angles P-C4'-P energy: -30.433 tors. eta vs tors. theta energy: -45.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -594.876804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.876804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.876804 (E_RNA) where: Base-Base interactions energy: -338.465 where: short stacking energy: -177.293 Base-Backbone interact. energy: -0.092 local terms energy: -256.320292 where: bonds (distance) C4'-P energy: -57.191 bonds (distance) P-C4' energy: -77.101 flat angles C4'-P-C4' energy: -59.032 flat angles P-C4'-P energy: -35.555 tors. eta vs tors. theta energy: -27.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -377.783161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.783161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.783161 (E_RNA) where: Base-Base interactions energy: -156.114 where: short stacking energy: -115.713 Base-Backbone interact. energy: -2.426 local terms energy: -219.243665 where: bonds (distance) C4'-P energy: -58.282 bonds (distance) P-C4' energy: -67.648 flat angles C4'-P-C4' energy: -56.508 flat angles P-C4'-P energy: -44.157 tors. eta vs tors. theta energy: 7.351 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: 9 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1409.490967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.490967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.490967 (E_RNA) where: Base-Base interactions energy: -962.701 where: short stacking energy: -429.094 Base-Backbone interact. energy: -1.468 local terms energy: -445.322088 where: bonds (distance) C4'-P energy: -82.176 bonds (distance) P-C4' energy: -80.976 flat angles C4'-P-C4' energy: -90.393 flat angles P-C4'-P energy: -64.378 tors. eta vs tors. theta energy: -127.398 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: 10 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1408.386417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.386417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.386417 (E_RNA) where: Base-Base interactions energy: -983.982 where: short stacking energy: -408.551 Base-Backbone interact. energy: -4.582 local terms energy: -419.822173 where: bonds (distance) C4'-P energy: -75.367 bonds (distance) P-C4' energy: -78.824 flat angles C4'-P-C4' energy: -85.810 flat angles P-C4'-P energy: -55.379 tors. eta vs tors. theta energy: -124.443 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: 3 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1275.721981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.721981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.721981 (E_RNA) where: Base-Base interactions energy: -863.379 where: short stacking energy: -384.692 Base-Backbone interact. energy: -0.193 local terms energy: -412.149775 where: bonds (distance) C4'-P energy: -85.228 bonds (distance) P-C4' energy: -74.055 flat angles C4'-P-C4' energy: -84.001 flat angles P-C4'-P energy: -55.532 tors. eta vs tors. theta energy: -113.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1238.317857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.317857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.317857 (E_RNA) where: Base-Base interactions energy: -855.838 where: short stacking energy: -357.005 Base-Backbone interact. energy: -1.131 local terms energy: -381.348152 where: bonds (distance) C4'-P energy: -65.459 bonds (distance) P-C4' energy: -76.108 flat angles C4'-P-C4' energy: -81.444 flat angles P-C4'-P energy: -60.936 tors. eta vs tors. theta energy: -97.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1201.586597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.586597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.586597 (E_RNA) where: Base-Base interactions energy: -822.862 where: short stacking energy: -367.839 Base-Backbone interact. energy: -3.028 local terms energy: -375.696424 where: bonds (distance) C4'-P energy: -60.514 bonds (distance) P-C4' energy: -66.986 flat angles C4'-P-C4' energy: -83.419 flat angles P-C4'-P energy: -56.601 tors. eta vs tors. theta energy: -108.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1059.520388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.520388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.520388 (E_RNA) where: Base-Base interactions energy: -727.742 where: short stacking energy: -302.600 Base-Backbone interact. energy: -3.240 local terms energy: -328.538322 where: bonds (distance) C4'-P energy: -68.842 bonds (distance) P-C4' energy: -67.847 flat angles C4'-P-C4' energy: -74.268 flat angles P-C4'-P energy: -44.836 tors. eta vs tors. theta energy: -72.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -960.108730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.108730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.108730 (E_RNA) where: Base-Base interactions energy: -631.690 where: short stacking energy: -260.705 Base-Backbone interact. energy: -1.327 local terms energy: -327.090928 where: bonds (distance) C4'-P energy: -61.952 bonds (distance) P-C4' energy: -73.775 flat angles C4'-P-C4' energy: -68.493 flat angles P-C4'-P energy: -61.247 tors. eta vs tors. theta energy: -61.625 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: 5 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -775.435198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.435198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.435198 (E_RNA) where: Base-Base interactions energy: -510.362 where: short stacking energy: -252.270 Base-Backbone interact. energy: -0.926 local terms energy: -264.147085 where: bonds (distance) C4'-P energy: -66.981 bonds (distance) P-C4' energy: -70.840 flat angles C4'-P-C4' energy: -59.380 flat angles P-C4'-P energy: -22.942 tors. eta vs tors. theta energy: -44.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -566.514721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.514721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.514721 (E_RNA) where: Base-Base interactions energy: -341.750 where: short stacking energy: -177.550 Base-Backbone interact. energy: -1.439 local terms energy: -223.325606 where: bonds (distance) C4'-P energy: -52.890 bonds (distance) P-C4' energy: -56.233 flat angles C4'-P-C4' energy: -73.745 flat angles P-C4'-P energy: -31.758 tors. eta vs tors. theta energy: -8.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -319.974474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.974474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.974474 (E_RNA) where: Base-Base interactions energy: -121.307 where: short stacking energy: -100.867 Base-Backbone interact. energy: 1.212 local terms energy: -199.879699 where: bonds (distance) C4'-P energy: -76.053 bonds (distance) P-C4' energy: -73.665 flat angles C4'-P-C4' energy: -36.405 flat angles P-C4'-P energy: -36.248 tors. eta vs tors. theta energy: 22.491 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: 1, replica: 9 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1422.294375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.294375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.294375 (E_RNA) where: Base-Base interactions energy: -983.503 where: short stacking energy: -436.588 Base-Backbone interact. energy: -1.273 local terms energy: -437.518407 where: bonds (distance) C4'-P energy: -71.499 bonds (distance) P-C4' energy: -83.178 flat angles C4'-P-C4' energy: -83.499 flat angles P-C4'-P energy: -68.291 tors. eta vs tors. theta energy: -131.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1372.870146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.870146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.870146 (E_RNA) where: Base-Base interactions energy: -954.765 where: short stacking energy: -398.659 Base-Backbone interact. energy: -2.418 local terms energy: -415.686773 where: bonds (distance) C4'-P energy: -76.092 bonds (distance) P-C4' energy: -85.410 flat angles C4'-P-C4' energy: -86.202 flat angles P-C4'-P energy: -52.052 tors. eta vs tors. theta energy: -115.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1292.026681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.026681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.026681 (E_RNA) where: Base-Base interactions energy: -893.850 where: short stacking energy: -388.723 Base-Backbone interact. energy: -2.874 local terms energy: -395.302890 where: bonds (distance) C4'-P energy: -73.577 bonds (distance) P-C4' energy: -66.962 flat angles C4'-P-C4' energy: -88.147 flat angles P-C4'-P energy: -52.029 tors. eta vs tors. theta energy: -114.588 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: 8 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1264.422643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.422643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.422643 (E_RNA) where: Base-Base interactions energy: -891.987 where: short stacking energy: -378.550 Base-Backbone interact. energy: -2.408 local terms energy: -370.027869 where: bonds (distance) C4'-P energy: -62.380 bonds (distance) P-C4' energy: -76.266 flat angles C4'-P-C4' energy: -82.941 flat angles P-C4'-P energy: -45.668 tors. eta vs tors. theta energy: -102.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1221.535893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.535893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.535893 (E_RNA) where: Base-Base interactions energy: -841.941 where: short stacking energy: -361.409 Base-Backbone interact. energy: -1.678 local terms energy: -377.916380 where: bonds (distance) C4'-P energy: -63.833 bonds (distance) P-C4' energy: -74.173 flat angles C4'-P-C4' energy: -82.472 flat angles P-C4'-P energy: -53.476 tors. eta vs tors. theta energy: -103.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1030.713389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.713389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.713389 (E_RNA) where: Base-Base interactions energy: -703.299 where: short stacking energy: -291.569 Base-Backbone interact. energy: -0.954 local terms energy: -326.459970 where: bonds (distance) C4'-P energy: -67.417 bonds (distance) P-C4' energy: -65.653 flat angles C4'-P-C4' energy: -70.677 flat angles P-C4'-P energy: -43.073 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: 7, replica: 4 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1022.376556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.376556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.376556 (E_RNA) where: Base-Base interactions energy: -671.597 where: short stacking energy: -308.598 Base-Backbone interact. energy: -0.098 local terms energy: -350.681827 where: bonds (distance) C4'-P energy: -70.190 bonds (distance) P-C4' energy: -65.014 flat angles C4'-P-C4' energy: -85.338 flat angles P-C4'-P energy: -55.827 tors. eta vs tors. theta energy: -74.313 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: 5 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -793.048575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.048575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.048575 (E_RNA) where: Base-Base interactions energy: -503.754 where: short stacking energy: -228.958 Base-Backbone interact. energy: 0.963 local terms energy: -290.258208 where: bonds (distance) C4'-P energy: -57.315 bonds (distance) P-C4' energy: -75.382 flat angles C4'-P-C4' energy: -64.803 flat angles P-C4'-P energy: -38.851 tors. eta vs tors. theta energy: -53.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -572.994036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.994036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.994036 (E_RNA) where: Base-Base interactions energy: -330.373 where: short stacking energy: -170.410 Base-Backbone interact. energy: -0.600 local terms energy: -242.021420 where: bonds (distance) C4'-P energy: -70.731 bonds (distance) P-C4' energy: -57.042 flat angles C4'-P-C4' energy: -63.532 flat angles P-C4'-P energy: -29.014 tors. eta vs tors. theta energy: -21.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -325.999049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.999049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.999049 (E_RNA) where: Base-Base interactions energy: -134.465 where: short stacking energy: -108.119 Base-Backbone interact. energy: -1.430 local terms energy: -190.103770 where: bonds (distance) C4'-P energy: -52.372 bonds (distance) P-C4' energy: -66.957 flat angles C4'-P-C4' energy: -49.149 flat angles P-C4'-P energy: -32.303 tors. eta vs tors. theta energy: 10.676 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: 1, replica: 10 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1408.056265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.056265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.056265 (E_RNA) where: Base-Base interactions energy: -966.839 where: short stacking energy: -417.971 Base-Backbone interact. energy: -1.890 local terms energy: -439.327502 where: bonds (distance) C4'-P energy: -79.113 bonds (distance) P-C4' energy: -87.522 flat angles C4'-P-C4' energy: -90.111 flat angles P-C4'-P energy: -63.497 tors. eta vs tors. theta energy: -119.085 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: 9 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1397.189227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.189227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.189227 (E_RNA) where: Base-Base interactions energy: -963.900 where: short stacking energy: -437.633 Base-Backbone interact. energy: -0.713 local terms energy: -432.576257 where: bonds (distance) C4'-P energy: -79.780 bonds (distance) P-C4' energy: -73.273 flat angles C4'-P-C4' energy: -94.070 flat angles P-C4'-P energy: -55.267 tors. eta vs tors. theta energy: -130.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1294.549699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.549699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.549699 (E_RNA) where: Base-Base interactions energy: -887.183 where: short stacking energy: -381.809 Base-Backbone interact. energy: -1.949 local terms energy: -405.418239 where: bonds (distance) C4'-P energy: -74.322 bonds (distance) P-C4' energy: -79.789 flat angles C4'-P-C4' energy: -87.474 flat angles P-C4'-P energy: -47.070 tors. eta vs tors. theta energy: -116.764 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: 4, replica: 8 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1229.018376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.018376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.018376 (E_RNA) where: Base-Base interactions energy: -860.784 where: short stacking energy: -352.748 Base-Backbone interact. energy: -1.753 local terms energy: -366.481543 where: bonds (distance) C4'-P energy: -71.176 bonds (distance) P-C4' energy: -68.582 flat angles C4'-P-C4' energy: -74.102 flat angles P-C4'-P energy: -54.124 tors. eta vs tors. theta energy: -98.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1185.895427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.895427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.895427 (E_RNA) where: Base-Base interactions energy: -818.725 where: short stacking energy: -359.199 Base-Backbone interact. energy: 0.212 local terms energy: -367.381766 where: bonds (distance) C4'-P energy: -53.485 bonds (distance) P-C4' energy: -77.391 flat angles C4'-P-C4' energy: -80.898 flat angles P-C4'-P energy: -55.577 tors. eta vs tors. theta energy: -100.031 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: 7 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1028.832442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.832442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.832442 (E_RNA) where: Base-Base interactions energy: -706.323 where: short stacking energy: -318.199 Base-Backbone interact. energy: -3.089 local terms energy: -319.420804 where: bonds (distance) C4'-P energy: -60.670 bonds (distance) P-C4' energy: -64.965 flat angles C4'-P-C4' energy: -74.164 flat angles P-C4'-P energy: -45.970 tors. eta vs tors. theta energy: -73.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -997.824960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.824960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.824960 (E_RNA) where: Base-Base interactions energy: -657.305 where: short stacking energy: -296.271 Base-Backbone interact. energy: -1.393 local terms energy: -339.126892 where: bonds (distance) C4'-P energy: -80.933 bonds (distance) P-C4' energy: -76.028 flat angles C4'-P-C4' energy: -75.391 flat angles P-C4'-P energy: -40.322 tors. eta vs tors. theta energy: -66.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -766.839748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.839748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.839748 (E_RNA) where: Base-Base interactions energy: -503.172 where: short stacking energy: -228.264 Base-Backbone interact. energy: -1.339 local terms energy: -262.328772 where: bonds (distance) C4'-P energy: -45.185 bonds (distance) P-C4' energy: -67.558 flat angles C4'-P-C4' energy: -64.303 flat angles P-C4'-P energy: -43.893 tors. eta vs tors. theta energy: -41.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -566.325257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.325257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.325257 (E_RNA) where: Base-Base interactions energy: -332.072 where: short stacking energy: -155.275 Base-Backbone interact. energy: 0.578 local terms energy: -234.830896 where: bonds (distance) C4'-P energy: -69.712 bonds (distance) P-C4' energy: -55.656 flat angles C4'-P-C4' energy: -47.662 flat angles P-C4'-P energy: -48.647 tors. eta vs tors. theta energy: -13.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -336.441533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.441533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.441533 (E_RNA) where: Base-Base interactions energy: -117.383 where: short stacking energy: -91.227 Base-Backbone interact. energy: -0.486 local terms energy: -218.572937 where: bonds (distance) C4'-P energy: -64.387 bonds (distance) P-C4' energy: -70.704 flat angles C4'-P-C4' energy: -57.906 flat angles P-C4'-P energy: -37.004 tors. eta vs tors. theta energy: 11.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1419.885962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.885962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.885962 (E_RNA) where: Base-Base interactions energy: -993.448 where: short stacking energy: -437.272 Base-Backbone interact. energy: -0.148 local terms energy: -426.289727 where: bonds (distance) C4'-P energy: -74.815 bonds (distance) P-C4' energy: -78.485 flat angles C4'-P-C4' energy: -89.606 flat angles P-C4'-P energy: -60.521 tors. eta vs tors. theta energy: -122.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1376.865118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.865118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.865118 (E_RNA) where: Base-Base interactions energy: -946.439 where: short stacking energy: -423.064 Base-Backbone interact. energy: -0.560 local terms energy: -429.866133 where: bonds (distance) C4'-P energy: -72.292 bonds (distance) P-C4' energy: -80.600 flat angles C4'-P-C4' energy: -81.575 flat angles P-C4'-P energy: -64.618 tors. eta vs tors. theta energy: -130.782 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: 3 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1273.165412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.165412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.165412 (E_RNA) where: Base-Base interactions energy: -897.434 where: short stacking energy: -364.327 Base-Backbone interact. energy: -2.169 local terms energy: -373.562798 where: bonds (distance) C4'-P energy: -69.905 bonds (distance) P-C4' energy: -70.824 flat angles C4'-P-C4' energy: -74.755 flat angles P-C4'-P energy: -59.786 tors. eta vs tors. theta energy: -98.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1265.686628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.686628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.686628 (E_RNA) where: Base-Base interactions energy: -882.984 where: short stacking energy: -356.165 Base-Backbone interact. energy: -2.222 local terms energy: -380.481059 where: bonds (distance) C4'-P energy: -73.006 bonds (distance) P-C4' energy: -74.058 flat angles C4'-P-C4' energy: -79.299 flat angles P-C4'-P energy: -53.270 tors. eta vs tors. theta energy: -100.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1239.728699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.728699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.728699 (E_RNA) where: Base-Base interactions energy: -837.895 where: short stacking energy: -395.032 Base-Backbone interact. energy: -0.594 local terms energy: -401.239662 where: bonds (distance) C4'-P energy: -73.009 bonds (distance) P-C4' energy: -79.174 flat angles C4'-P-C4' energy: -83.572 flat angles P-C4'-P energy: -50.685 tors. eta vs tors. theta energy: -114.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1070.402293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.402293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.402293 (E_RNA) where: Base-Base interactions energy: -722.753 where: short stacking energy: -310.267 Base-Backbone interact. energy: -0.912 local terms energy: -346.737518 where: bonds (distance) C4'-P energy: -63.956 bonds (distance) P-C4' energy: -76.573 flat angles C4'-P-C4' energy: -75.381 flat angles P-C4'-P energy: -54.061 tors. eta vs tors. theta energy: -76.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1002.231540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.231540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.231540 (E_RNA) where: Base-Base interactions energy: -703.669 where: short stacking energy: -309.792 Base-Backbone interact. energy: 5.548 local terms energy: -304.110826 where: bonds (distance) C4'-P energy: -61.554 bonds (distance) P-C4' energy: -61.035 flat angles C4'-P-C4' energy: -66.152 flat angles P-C4'-P energy: -31.509 tors. eta vs tors. theta energy: -83.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -820.317032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.317032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.317032 (E_RNA) where: Base-Base interactions energy: -505.378 where: short stacking energy: -238.275 Base-Backbone interact. energy: 0.835 local terms energy: -315.773895 where: bonds (distance) C4'-P energy: -74.110 bonds (distance) P-C4' energy: -72.255 flat angles C4'-P-C4' energy: -77.853 flat angles P-C4'-P energy: -40.209 tors. eta vs tors. theta energy: -51.347 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: 159 Temperature: 1.300000 Total energy: -653.603916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.603916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.603916 (E_RNA) where: Base-Base interactions energy: -399.639 where: short stacking energy: -181.084 Base-Backbone interact. energy: 2.173 local terms energy: -256.137998 where: bonds (distance) C4'-P energy: -58.811 bonds (distance) P-C4' energy: -76.975 flat angles C4'-P-C4' energy: -56.362 flat angles P-C4'-P energy: -43.344 tors. eta vs tors. theta energy: -20.646 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: 10, replica: 2 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -336.235266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.235266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.235266 (E_RNA) where: Base-Base interactions energy: -131.591 where: short stacking energy: -98.976 Base-Backbone interact. energy: 1.487 local terms energy: -206.131232 where: bonds (distance) C4'-P energy: -59.971 bonds (distance) P-C4' energy: -48.864 flat angles C4'-P-C4' energy: -55.619 flat angles P-C4'-P energy: -42.188 tors. eta vs tors. theta energy: 0.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1438.583718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.583718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.583718 (E_RNA) where: Base-Base interactions energy: -1003.446 where: short stacking energy: -449.712 Base-Backbone interact. energy: -3.207 local terms energy: -431.930927 where: bonds (distance) C4'-P energy: -77.768 bonds (distance) P-C4' energy: -72.002 flat angles C4'-P-C4' energy: -91.334 flat angles P-C4'-P energy: -62.275 tors. eta vs tors. theta energy: -128.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1370.138692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.138692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.138692 (E_RNA) where: Base-Base interactions energy: -942.413 where: short stacking energy: -424.243 Base-Backbone interact. energy: -2.420 local terms energy: -425.305251 where: bonds (distance) C4'-P energy: -68.172 bonds (distance) P-C4' energy: -73.059 flat angles C4'-P-C4' energy: -91.090 flat angles P-C4'-P energy: -65.562 tors. eta vs tors. theta energy: -127.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1305.739373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.739373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.739373 (E_RNA) where: Base-Base interactions energy: -916.499 where: short stacking energy: -365.676 Base-Backbone interact. energy: -2.165 local terms energy: -387.075671 where: bonds (distance) C4'-P energy: -69.973 bonds (distance) P-C4' energy: -79.158 flat angles C4'-P-C4' energy: -97.328 flat angles P-C4'-P energy: -37.469 tors. eta vs tors. theta energy: -103.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1277.007498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.007498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.007498 (E_RNA) where: Base-Base interactions energy: -887.598 where: short stacking energy: -358.584 Base-Backbone interact. energy: -0.969 local terms energy: -388.440224 where: bonds (distance) C4'-P energy: -69.863 bonds (distance) P-C4' energy: -84.738 flat angles C4'-P-C4' energy: -91.146 flat angles P-C4'-P energy: -43.159 tors. eta vs tors. theta energy: -99.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1221.758565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.758565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.758565 (E_RNA) where: Base-Base interactions energy: -844.878 where: short stacking energy: -372.660 Base-Backbone interact. energy: -0.160 local terms energy: -376.720467 where: bonds (distance) C4'-P energy: -71.740 bonds (distance) P-C4' energy: -61.276 flat angles C4'-P-C4' energy: -82.758 flat angles P-C4'-P energy: -54.143 tors. eta vs tors. theta energy: -106.804 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: 6, replica: 4 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1101.327932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.327932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.327932 (E_RNA) where: Base-Base interactions energy: -751.471 where: short stacking energy: -321.985 Base-Backbone interact. energy: -0.886 local terms energy: -348.971043 where: bonds (distance) C4'-P energy: -74.947 bonds (distance) P-C4' energy: -64.249 flat angles C4'-P-C4' energy: -76.500 flat angles P-C4'-P energy: -43.666 tors. eta vs tors. theta energy: -89.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -994.358750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.358750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.358750 (E_RNA) where: Base-Base interactions energy: -670.630 where: short stacking energy: -279.976 Base-Backbone interact. energy: -4.157 local terms energy: -319.571414 where: bonds (distance) C4'-P energy: -68.230 bonds (distance) P-C4' energy: -67.317 flat angles C4'-P-C4' energy: -65.243 flat angles P-C4'-P energy: -50.611 tors. eta vs tors. theta energy: -68.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -756.990862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.990862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.990862 (E_RNA) where: Base-Base interactions energy: -466.668 where: short stacking energy: -222.386 Base-Backbone interact. energy: 5.008 local terms energy: -295.331292 where: bonds (distance) C4'-P energy: -53.549 bonds (distance) P-C4' energy: -85.125 flat angles C4'-P-C4' energy: -72.645 flat angles P-C4'-P energy: -49.593 tors. eta vs tors. theta energy: -34.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -688.740325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.740325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.740325 (E_RNA) where: Base-Base interactions energy: -400.021 where: short stacking energy: -207.429 Base-Backbone interact. energy: 2.161 local terms energy: -290.880690 where: bonds (distance) C4'-P energy: -73.087 bonds (distance) P-C4' energy: -67.613 flat angles C4'-P-C4' energy: -74.728 flat angles P-C4'-P energy: -37.729 tors. eta vs tors. theta energy: -37.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -331.071298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.071298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.071298 (E_RNA) where: Base-Base interactions energy: -141.879 where: short stacking energy: -90.012 Base-Backbone interact. energy: -0.564 local terms energy: -188.628572 where: bonds (distance) C4'-P energy: -70.928 bonds (distance) P-C4' energy: -70.233 flat angles C4'-P-C4' energy: -32.693 flat angles P-C4'-P energy: -28.145 tors. eta vs tors. theta energy: 13.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1430.553411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.553411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.553411 (E_RNA) where: Base-Base interactions energy: -987.771 where: short stacking energy: -407.990 Base-Backbone interact. energy: -3.939 local terms energy: -438.842985 where: bonds (distance) C4'-P energy: -81.300 bonds (distance) P-C4' energy: -84.799 flat angles C4'-P-C4' energy: -83.257 flat angles P-C4'-P energy: -66.145 tors. eta vs tors. theta energy: -123.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1370.872892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.872892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.872892 (E_RNA) where: Base-Base interactions energy: -942.426 where: short stacking energy: -412.842 Base-Backbone interact. energy: -0.473 local terms energy: -427.974337 where: bonds (distance) C4'-P energy: -69.430 bonds (distance) P-C4' energy: -76.426 flat angles C4'-P-C4' energy: -94.303 flat angles P-C4'-P energy: -65.086 tors. eta vs tors. theta energy: -122.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1272.547196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.547196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.547196 (E_RNA) where: Base-Base interactions energy: -866.613 where: short stacking energy: -376.544 Base-Backbone interact. energy: -4.623 local terms energy: -401.311047 where: bonds (distance) C4'-P energy: -76.480 bonds (distance) P-C4' energy: -72.889 flat angles C4'-P-C4' energy: -92.182 flat angles P-C4'-P energy: -54.562 tors. eta vs tors. theta energy: -105.198 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: 3 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1267.450875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.450875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.450875 (E_RNA) where: Base-Base interactions energy: -883.120 where: short stacking energy: -337.155 Base-Backbone interact. energy: -0.840 local terms energy: -383.490682 where: bonds (distance) C4'-P energy: -68.596 bonds (distance) P-C4' energy: -74.153 flat angles C4'-P-C4' energy: -85.774 flat angles P-C4'-P energy: -55.664 tors. eta vs tors. theta energy: -99.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1187.177719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.177719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.177719 (E_RNA) where: Base-Base interactions energy: -806.481 where: short stacking energy: -369.217 Base-Backbone interact. energy: -0.670 local terms energy: -380.026294 where: bonds (distance) C4'-P energy: -70.859 bonds (distance) P-C4' energy: -68.177 flat angles C4'-P-C4' energy: -83.941 flat angles P-C4'-P energy: -54.416 tors. eta vs tors. theta energy: -102.634 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: 4 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1095.571723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.571723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.571723 (E_RNA) where: Base-Base interactions energy: -747.602 where: short stacking energy: -319.019 Base-Backbone interact. energy: -0.575 local terms energy: -347.394351 where: bonds (distance) C4'-P energy: -69.373 bonds (distance) P-C4' energy: -73.654 flat angles C4'-P-C4' energy: -76.350 flat angles P-C4'-P energy: -52.212 tors. eta vs tors. theta energy: -75.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -959.355027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.355027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.355027 (E_RNA) where: Base-Base interactions energy: -646.345 where: short stacking energy: -263.580 Base-Backbone interact. energy: -1.339 local terms energy: -311.670711 where: bonds (distance) C4'-P energy: -65.250 bonds (distance) P-C4' energy: -62.506 flat angles C4'-P-C4' energy: -78.121 flat angles P-C4'-P energy: -41.128 tors. eta vs tors. theta energy: -64.665 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: 8, replica: 5 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -773.077867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.077867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.077867 (E_RNA) where: Base-Base interactions energy: -473.844 where: short stacking energy: -221.251 Base-Backbone interact. energy: 3.239 local terms energy: -302.473499 where: bonds (distance) C4'-P energy: -73.738 bonds (distance) P-C4' energy: -70.471 flat angles C4'-P-C4' energy: -56.908 flat angles P-C4'-P energy: -51.614 tors. eta vs tors. theta energy: -49.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -639.245311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.245311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.245311 (E_RNA) where: Base-Base interactions energy: -381.731 where: short stacking energy: -198.603 Base-Backbone interact. energy: -2.283 local terms energy: -255.231677 where: bonds (distance) C4'-P energy: -59.311 bonds (distance) P-C4' energy: -59.176 flat angles C4'-P-C4' energy: -71.470 flat angles P-C4'-P energy: -46.742 tors. eta vs tors. theta energy: -18.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -352.393139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -352.393139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -352.393139 (E_RNA) where: Base-Base interactions energy: -148.487 where: short stacking energy: -104.587 Base-Backbone interact. energy: 2.034 local terms energy: -205.939977 where: bonds (distance) C4'-P energy: -52.657 bonds (distance) P-C4' energy: -60.834 flat angles C4'-P-C4' energy: -62.152 flat angles P-C4'-P energy: -33.708 tors. eta vs tors. theta energy: 3.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1411.715608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.715608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.715608 (E_RNA) where: Base-Base interactions energy: -978.088 where: short stacking energy: -414.533 Base-Backbone interact. energy: -3.181 local terms energy: -430.446806 where: bonds (distance) C4'-P energy: -76.379 bonds (distance) P-C4' energy: -85.331 flat angles C4'-P-C4' energy: -88.774 flat angles P-C4'-P energy: -61.634 tors. eta vs tors. theta energy: -118.329 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: 9 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1394.792396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.792396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.792396 (E_RNA) where: Base-Base interactions energy: -977.637 where: short stacking energy: -424.125 Base-Backbone interact. energy: -1.260 local terms energy: -415.894457 where: bonds (distance) C4'-P energy: -74.822 bonds (distance) P-C4' energy: -69.626 flat angles C4'-P-C4' energy: -85.193 flat angles P-C4'-P energy: -60.830 tors. eta vs tors. theta energy: -125.424 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: 3, replica: 8 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1298.456409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.456409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.456409 (E_RNA) where: Base-Base interactions energy: -901.929 where: short stacking energy: -380.822 Base-Backbone interact. energy: -3.555 local terms energy: -392.971934 where: bonds (distance) C4'-P energy: -58.260 bonds (distance) P-C4' energy: -77.360 flat angles C4'-P-C4' energy: -88.179 flat angles P-C4'-P energy: -65.998 tors. eta vs tors. theta energy: -103.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1300.695269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.695269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.695269 (E_RNA) where: Base-Base interactions energy: -904.497 where: short stacking energy: -364.821 Base-Backbone interact. energy: 1.635 local terms energy: -397.833319 where: bonds (distance) C4'-P energy: -72.807 bonds (distance) P-C4' energy: -73.450 flat angles C4'-P-C4' energy: -83.179 flat angles P-C4'-P energy: -62.226 tors. eta vs tors. theta energy: -106.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1159.392518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.392518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.392518 (E_RNA) where: Base-Base interactions energy: -793.394 where: short stacking energy: -362.229 Base-Backbone interact. energy: -0.453 local terms energy: -365.545173 where: bonds (distance) C4'-P energy: -66.314 bonds (distance) P-C4' energy: -65.142 flat angles C4'-P-C4' energy: -81.655 flat angles P-C4'-P energy: -47.571 tors. eta vs tors. theta energy: -104.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1080.833397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.833397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.833397 (E_RNA) where: Base-Base interactions energy: -714.338 where: short stacking energy: -319.784 Base-Backbone interact. energy: 3.944 local terms energy: -370.439021 where: bonds (distance) C4'-P energy: -74.543 bonds (distance) P-C4' energy: -71.926 flat angles C4'-P-C4' energy: -77.095 flat angles P-C4'-P energy: -56.831 tors. eta vs tors. theta energy: -90.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -954.898850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.898850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.898850 (E_RNA) where: Base-Base interactions energy: -640.738 where: short stacking energy: -246.791 Base-Backbone interact. energy: -1.194 local terms energy: -312.966607 where: bonds (distance) C4'-P energy: -74.803 bonds (distance) P-C4' energy: -66.744 flat angles C4'-P-C4' energy: -66.330 flat angles P-C4'-P energy: -49.314 tors. eta vs tors. theta energy: -55.776 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: 5 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -809.308097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.308097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.308097 (E_RNA) where: Base-Base interactions energy: -516.517 where: short stacking energy: -226.523 Base-Backbone interact. energy: -1.312 local terms energy: -291.479770 where: bonds (distance) C4'-P energy: -57.162 bonds (distance) P-C4' energy: -65.733 flat angles C4'-P-C4' energy: -71.634 flat angles P-C4'-P energy: -48.099 tors. eta vs tors. theta energy: -48.853 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: 162 Temperature: 1.300000 Total energy: -641.817552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.817552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.817552 (E_RNA) where: Base-Base interactions energy: -351.176 where: short stacking energy: -180.132 Base-Backbone interact. energy: 0.968 local terms energy: -291.609608 where: bonds (distance) C4'-P energy: -72.205 bonds (distance) P-C4' energy: -75.486 flat angles C4'-P-C4' energy: -72.324 flat angles P-C4'-P energy: -38.286 tors. eta vs tors. theta energy: -33.308 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: 2 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -309.790918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -309.790918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -309.790918 (E_RNA) where: Base-Base interactions energy: -108.043 where: short stacking energy: -96.062 Base-Backbone interact. energy: 0.882 local terms energy: -202.629969 where: bonds (distance) C4'-P energy: -55.457 bonds (distance) P-C4' energy: -58.853 flat angles C4'-P-C4' energy: -62.120 flat angles P-C4'-P energy: -29.650 tors. eta vs tors. theta energy: 3.450 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: 10 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1431.225298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.225298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.225298 (E_RNA) where: Base-Base interactions energy: -1001.154 where: short stacking energy: -428.205 Base-Backbone interact. energy: -1.445 local terms energy: -428.626498 where: bonds (distance) C4'-P energy: -77.016 bonds (distance) P-C4' energy: -78.145 flat angles C4'-P-C4' energy: -94.566 flat angles P-C4'-P energy: -55.718 tors. eta vs tors. theta energy: -123.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1374.274046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.274046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.274046 (E_RNA) where: Base-Base interactions energy: -953.872 where: short stacking energy: -402.233 Base-Backbone interact. energy: -1.857 local terms energy: -418.544602 where: bonds (distance) C4'-P energy: -67.758 bonds (distance) P-C4' energy: -80.901 flat angles C4'-P-C4' energy: -83.701 flat angles P-C4'-P energy: -63.496 tors. eta vs tors. theta energy: -122.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1304.667736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.667736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.667736 (E_RNA) where: Base-Base interactions energy: -926.421 where: short stacking energy: -370.176 Base-Backbone interact. energy: 1.409 local terms energy: -379.655288 where: bonds (distance) C4'-P energy: -61.987 bonds (distance) P-C4' energy: -73.292 flat angles C4'-P-C4' energy: -84.822 flat angles P-C4'-P energy: -55.028 tors. eta vs tors. theta energy: -104.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1269.863962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.863962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.863962 (E_RNA) where: Base-Base interactions energy: -906.748 where: short stacking energy: -375.995 Base-Backbone interact. energy: 1.513 local terms energy: -364.629460 where: bonds (distance) C4'-P energy: -61.283 bonds (distance) P-C4' energy: -74.429 flat angles C4'-P-C4' energy: -74.210 flat angles P-C4'-P energy: -60.174 tors. eta vs tors. theta energy: -94.535 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: 6 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1189.457250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.457250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.457250 (E_RNA) where: Base-Base interactions energy: -816.505 where: short stacking energy: -352.480 Base-Backbone interact. energy: -1.507 local terms energy: -371.445948 where: bonds (distance) C4'-P energy: -72.984 bonds (distance) P-C4' energy: -59.701 flat angles C4'-P-C4' energy: -84.958 flat angles P-C4'-P energy: -53.795 tors. eta vs tors. theta energy: -100.008 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: 163 Temperature: 1.150000 Total energy: -957.751429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.751429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.751429 (E_RNA) where: Base-Base interactions energy: -630.811 where: short stacking energy: -249.955 Base-Backbone interact. energy: -1.295 local terms energy: -325.645865 where: bonds (distance) C4'-P energy: -71.711 bonds (distance) P-C4' energy: -79.267 flat angles C4'-P-C4' energy: -67.738 flat angles P-C4'-P energy: -39.114 tors. eta vs tors. theta energy: -67.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1044.596499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.596499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.596499 (E_RNA) where: Base-Base interactions energy: -713.201 where: short stacking energy: -304.277 Base-Backbone interact. energy: 0.411 local terms energy: -331.806847 where: bonds (distance) C4'-P energy: -66.053 bonds (distance) P-C4' energy: -59.790 flat angles C4'-P-C4' energy: -72.010 flat angles P-C4'-P energy: -49.331 tors. eta vs tors. theta energy: -84.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -827.751638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.751638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.751638 (E_RNA) where: Base-Base interactions energy: -535.858 where: short stacking energy: -246.116 Base-Backbone interact. energy: 0.391 local terms energy: -292.284622 where: bonds (distance) C4'-P energy: -62.292 bonds (distance) P-C4' energy: -76.986 flat angles C4'-P-C4' energy: -65.649 flat angles P-C4'-P energy: -41.908 tors. eta vs tors. theta energy: -45.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -599.183755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.183755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.183755 (E_RNA) where: Base-Base interactions energy: -348.085 where: short stacking energy: -196.405 Base-Backbone interact. energy: 0.939 local terms energy: -252.037613 where: bonds (distance) C4'-P energy: -58.896 bonds (distance) P-C4' energy: -73.338 flat angles C4'-P-C4' energy: -61.910 flat angles P-C4'-P energy: -39.887 tors. eta vs tors. theta energy: -18.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -331.721061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.721061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.721061 (E_RNA) where: Base-Base interactions energy: -132.648 where: short stacking energy: -102.938 Base-Backbone interact. energy: -0.522 local terms energy: -198.550955 where: bonds (distance) C4'-P energy: -58.497 bonds (distance) P-C4' energy: -56.412 flat angles C4'-P-C4' energy: -44.259 flat angles P-C4'-P energy: -42.405 tors. eta vs tors. theta energy: 3.022 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: 1, replica: 10 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1423.550130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.550130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.550130 (E_RNA) where: Base-Base interactions energy: -994.235 where: short stacking energy: -425.821 Base-Backbone interact. energy: 1.371 local terms energy: -430.686800 where: bonds (distance) C4'-P energy: -81.279 bonds (distance) P-C4' energy: -71.997 flat angles C4'-P-C4' energy: -89.718 flat angles P-C4'-P energy: -64.084 tors. eta vs tors. theta energy: -123.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1374.415723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.415723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.415723 (E_RNA) where: Base-Base interactions energy: -931.549 where: short stacking energy: -406.281 Base-Backbone interact. energy: -0.958 local terms energy: -441.908265 where: bonds (distance) C4'-P energy: -75.582 bonds (distance) P-C4' energy: -85.668 flat angles C4'-P-C4' energy: -90.737 flat angles P-C4'-P energy: -62.520 tors. eta vs tors. theta energy: -127.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1263.919169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.919169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.919169 (E_RNA) where: Base-Base interactions energy: -865.268 where: short stacking energy: -355.218 Base-Backbone interact. energy: -3.402 local terms energy: -395.248707 where: bonds (distance) C4'-P energy: -71.514 bonds (distance) P-C4' energy: -73.170 flat angles C4'-P-C4' energy: -87.925 flat angles P-C4'-P energy: -53.143 tors. eta vs tors. theta energy: -109.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1265.959156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.959156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.959156 (E_RNA) where: Base-Base interactions energy: -863.848 where: short stacking energy: -381.430 Base-Backbone interact. energy: -0.516 local terms energy: -401.595477 where: bonds (distance) C4'-P energy: -66.876 bonds (distance) P-C4' energy: -74.839 flat angles C4'-P-C4' energy: -84.538 flat angles P-C4'-P energy: -67.211 tors. eta vs tors. theta energy: -108.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1176.883180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.883180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.883180 (E_RNA) where: Base-Base interactions energy: -794.069 where: short stacking energy: -347.102 Base-Backbone interact. energy: 0.592 local terms energy: -383.405571 where: bonds (distance) C4'-P energy: -78.034 bonds (distance) P-C4' energy: -76.446 flat angles C4'-P-C4' energy: -76.126 flat angles P-C4'-P energy: -49.946 tors. eta vs tors. theta energy: -102.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1051.822564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.822564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.822564 (E_RNA) where: Base-Base interactions energy: -712.567 where: short stacking energy: -289.846 Base-Backbone interact. energy: -2.541 local terms energy: -336.714393 where: bonds (distance) C4'-P energy: -71.996 bonds (distance) P-C4' energy: -64.927 flat angles C4'-P-C4' energy: -82.340 flat angles P-C4'-P energy: -50.494 tors. eta vs tors. theta energy: -66.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1015.705549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.705549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.705549 (E_RNA) where: Base-Base interactions energy: -708.103 where: short stacking energy: -301.040 Base-Backbone interact. energy: -0.372 local terms energy: -307.230576 where: bonds (distance) C4'-P energy: -54.951 bonds (distance) P-C4' energy: -56.491 flat angles C4'-P-C4' energy: -82.820 flat angles P-C4'-P energy: -46.154 tors. eta vs tors. theta energy: -66.815 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: 8, replica: 5 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -797.764050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.764050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.764050 (E_RNA) where: Base-Base interactions energy: -489.046 where: short stacking energy: -218.688 Base-Backbone interact. energy: -1.568 local terms energy: -307.150401 where: bonds (distance) C4'-P energy: -78.863 bonds (distance) P-C4' energy: -55.515 flat angles C4'-P-C4' energy: -79.101 flat angles P-C4'-P energy: -42.504 tors. eta vs tors. theta energy: -51.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -582.995149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.995149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.995149 (E_RNA) where: Base-Base interactions energy: -353.348 where: short stacking energy: -169.519 Base-Backbone interact. energy: 1.309 local terms energy: -230.956140 where: bonds (distance) C4'-P energy: -56.808 bonds (distance) P-C4' energy: -61.052 flat angles C4'-P-C4' energy: -56.220 flat angles P-C4'-P energy: -37.524 tors. eta vs tors. theta energy: -19.353 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: 2 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -311.465789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -311.465789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -311.465789 (E_RNA) where: Base-Base interactions energy: -134.054 where: short stacking energy: -98.652 Base-Backbone interact. energy: -1.750 local terms energy: -175.661405 where: bonds (distance) C4'-P energy: -73.271 bonds (distance) P-C4' energy: -46.220 flat angles C4'-P-C4' energy: -55.713 flat angles P-C4'-P energy: -11.266 tors. eta vs tors. theta energy: 10.808 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: 10 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1431.748487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.748487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.748487 (E_RNA) where: Base-Base interactions energy: -1001.605 where: short stacking energy: -424.829 Base-Backbone interact. energy: -3.904 local terms energy: -426.238966 where: bonds (distance) C4'-P energy: -83.547 bonds (distance) P-C4' energy: -73.095 flat angles C4'-P-C4' energy: -82.078 flat angles P-C4'-P energy: -61.955 tors. eta vs tors. theta energy: -125.563 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: 9 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1383.664837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.664837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.664837 (E_RNA) where: Base-Base interactions energy: -950.397 where: short stacking energy: -408.799 Base-Backbone interact. energy: -2.298 local terms energy: -430.969102 where: bonds (distance) C4'-P energy: -80.773 bonds (distance) P-C4' energy: -78.599 flat angles C4'-P-C4' energy: -93.941 flat angles P-C4'-P energy: -55.872 tors. eta vs tors. theta energy: -121.784 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: 8 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1288.223091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.223091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.223091 (E_RNA) where: Base-Base interactions energy: -886.025 where: short stacking energy: -361.092 Base-Backbone interact. energy: -2.189 local terms energy: -400.008446 where: bonds (distance) C4'-P energy: -71.712 bonds (distance) P-C4' energy: -86.930 flat angles C4'-P-C4' energy: -85.367 flat angles P-C4'-P energy: -52.543 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: 4, replica: 3 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1270.404619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.404619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.404619 (E_RNA) where: Base-Base interactions energy: -906.233 where: short stacking energy: -362.367 Base-Backbone interact. energy: -0.994 local terms energy: -363.177677 where: bonds (distance) C4'-P energy: -55.806 bonds (distance) P-C4' energy: -80.125 flat angles C4'-P-C4' energy: -79.807 flat angles P-C4'-P energy: -48.196 tors. eta vs tors. theta energy: -99.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1209.791394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.791394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.791394 (E_RNA) where: Base-Base interactions energy: -824.999 where: short stacking energy: -366.366 Base-Backbone interact. energy: -1.863 local terms energy: -382.929777 where: bonds (distance) C4'-P energy: -75.622 bonds (distance) P-C4' energy: -64.767 flat angles C4'-P-C4' energy: -86.432 flat angles P-C4'-P energy: -57.468 tors. eta vs tors. theta energy: -98.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1043.778552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.778552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.778552 (E_RNA) where: Base-Base interactions energy: -693.688 where: short stacking energy: -306.786 Base-Backbone interact. energy: -0.467 local terms energy: -349.623863 where: bonds (distance) C4'-P energy: -76.698 bonds (distance) P-C4' energy: -62.868 flat angles C4'-P-C4' energy: -76.649 flat angles P-C4'-P energy: -48.480 tors. eta vs tors. theta energy: -84.928 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: 7 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1021.871550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.871550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.871550 (E_RNA) where: Base-Base interactions energy: -707.640 where: short stacking energy: -296.847 Base-Backbone interact. energy: -0.520 local terms energy: -313.711571 where: bonds (distance) C4'-P energy: -81.607 bonds (distance) P-C4' energy: -60.182 flat angles C4'-P-C4' energy: -56.714 flat angles P-C4'-P energy: -50.098 tors. eta vs tors. theta energy: -65.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -811.545169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.545169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.545169 (E_RNA) where: Base-Base interactions energy: -523.493 where: short stacking energy: -218.257 Base-Backbone interact. energy: -1.490 local terms energy: -286.561657 where: bonds (distance) C4'-P energy: -66.751 bonds (distance) P-C4' energy: -61.933 flat angles C4'-P-C4' energy: -71.721 flat angles P-C4'-P energy: -43.598 tors. eta vs tors. theta energy: -42.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -622.237619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.237619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.237619 (E_RNA) where: Base-Base interactions energy: -366.594 where: short stacking energy: -191.863 Base-Backbone interact. energy: 0.301 local terms energy: -255.945047 where: bonds (distance) C4'-P energy: -56.783 bonds (distance) P-C4' energy: -69.480 flat angles C4'-P-C4' energy: -60.194 flat angles P-C4'-P energy: -42.966 tors. eta vs tors. theta energy: -26.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -326.239250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -326.239250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -326.239250 (E_RNA) where: Base-Base interactions energy: -110.746 where: short stacking energy: -92.098 Base-Backbone interact. energy: -1.794 local terms energy: -213.699444 where: bonds (distance) C4'-P energy: -56.200 bonds (distance) P-C4' energy: -51.042 flat angles C4'-P-C4' energy: -64.715 flat angles P-C4'-P energy: -31.208 tors. eta vs tors. theta energy: -10.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1430.205770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.205770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.205770 (E_RNA) where: Base-Base interactions energy: -979.143 where: short stacking energy: -429.006 Base-Backbone interact. energy: -0.237 local terms energy: -450.825398 where: bonds (distance) C4'-P energy: -81.544 bonds (distance) P-C4' energy: -80.152 flat angles C4'-P-C4' energy: -92.985 flat angles P-C4'-P energy: -63.977 tors. eta vs tors. theta energy: -132.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1393.884595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.884595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.884595 (E_RNA) where: Base-Base interactions energy: -978.523 where: short stacking energy: -412.514 Base-Backbone interact. energy: -2.674 local terms energy: -412.687288 where: bonds (distance) C4'-P energy: -69.727 bonds (distance) P-C4' energy: -68.881 flat angles C4'-P-C4' energy: -85.713 flat angles P-C4'-P energy: -71.408 tors. eta vs tors. theta energy: -116.958 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: 3 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1272.687143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.687143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.687143 (E_RNA) where: Base-Base interactions energy: -903.618 where: short stacking energy: -380.400 Base-Backbone interact. energy: -1.179 local terms energy: -367.889632 where: bonds (distance) C4'-P energy: -73.864 bonds (distance) P-C4' energy: -67.493 flat angles C4'-P-C4' energy: -86.615 flat angles P-C4'-P energy: -39.787 tors. eta vs tors. theta energy: -100.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1270.533977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.533977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.533977 (E_RNA) where: Base-Base interactions energy: -876.544 where: short stacking energy: -355.988 Base-Backbone interact. energy: -1.905 local terms energy: -392.085290 where: bonds (distance) C4'-P energy: -75.350 bonds (distance) P-C4' energy: -76.210 flat angles C4'-P-C4' energy: -80.920 flat angles P-C4'-P energy: -51.538 tors. eta vs tors. theta energy: -108.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1166.378033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.378033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.378033 (E_RNA) where: Base-Base interactions energy: -801.816 where: short stacking energy: -337.027 Base-Backbone interact. energy: -0.201 local terms energy: -364.360606 where: bonds (distance) C4'-P energy: -78.901 bonds (distance) P-C4' energy: -62.857 flat angles C4'-P-C4' energy: -83.747 flat angles P-C4'-P energy: -34.985 tors. eta vs tors. theta energy: -103.871 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: 4 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1057.381226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.381226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.381226 (E_RNA) where: Base-Base interactions energy: -703.401 where: short stacking energy: -320.864 Base-Backbone interact. energy: -0.410 local terms energy: -353.569942 where: bonds (distance) C4'-P energy: -75.113 bonds (distance) P-C4' energy: -61.284 flat angles C4'-P-C4' energy: -74.896 flat angles P-C4'-P energy: -53.297 tors. eta vs tors. theta energy: -88.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -970.122253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.122253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.122253 (E_RNA) where: Base-Base interactions energy: -662.780 where: short stacking energy: -270.377 Base-Backbone interact. energy: -1.946 local terms energy: -305.396584 where: bonds (distance) C4'-P energy: -61.093 bonds (distance) P-C4' energy: -63.216 flat angles C4'-P-C4' energy: -78.901 flat angles P-C4'-P energy: -38.728 tors. eta vs tors. theta energy: -63.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -796.857810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.857810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.857810 (E_RNA) where: Base-Base interactions energy: -507.705 where: short stacking energy: -233.256 Base-Backbone interact. energy: 5.968 local terms energy: -295.120424 where: bonds (distance) C4'-P energy: -63.014 bonds (distance) P-C4' energy: -74.120 flat angles C4'-P-C4' energy: -70.580 flat angles P-C4'-P energy: -40.878 tors. eta vs tors. theta energy: -46.528 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: 166 Temperature: 1.300000 Total energy: -603.549372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.549372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.549372 (E_RNA) where: Base-Base interactions energy: -362.566 where: short stacking energy: -176.723 Base-Backbone interact. energy: 0.909 local terms energy: -241.891997 where: bonds (distance) C4'-P energy: -67.694 bonds (distance) P-C4' energy: -66.816 flat angles C4'-P-C4' energy: -54.294 flat angles P-C4'-P energy: -44.752 tors. eta vs tors. theta energy: -8.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -336.654172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.654172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.654172 (E_RNA) where: Base-Base interactions energy: -117.435 where: short stacking energy: -108.684 Base-Backbone interact. energy: 1.048 local terms energy: -220.266909 where: bonds (distance) C4'-P energy: -72.838 bonds (distance) P-C4' energy: -69.507 flat angles C4'-P-C4' energy: -48.012 flat angles P-C4'-P energy: -34.880 tors. eta vs tors. theta energy: 4.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1422.829996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.829996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.829996 (E_RNA) where: Base-Base interactions energy: -981.961 where: short stacking energy: -406.437 Base-Backbone interact. energy: -1.294 local terms energy: -439.574913 where: bonds (distance) C4'-P energy: -82.828 bonds (distance) P-C4' energy: -79.306 flat angles C4'-P-C4' energy: -91.788 flat angles P-C4'-P energy: -59.614 tors. eta vs tors. theta energy: -126.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1377.093886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.093886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.093886 (E_RNA) where: Base-Base interactions energy: -974.539 where: short stacking energy: -404.689 Base-Backbone interact. energy: -1.172 local terms energy: -401.383307 where: bonds (distance) C4'-P energy: -78.319 bonds (distance) P-C4' energy: -81.128 flat angles C4'-P-C4' energy: -75.047 flat angles P-C4'-P energy: -58.593 tors. eta vs tors. theta energy: -108.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1280.625558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.625558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.625558 (E_RNA) where: Base-Base interactions energy: -899.357 where: short stacking energy: -359.096 Base-Backbone interact. energy: -1.440 local terms energy: -379.828050 where: bonds (distance) C4'-P energy: -69.901 bonds (distance) P-C4' energy: -78.544 flat angles C4'-P-C4' energy: -88.956 flat angles P-C4'-P energy: -54.875 tors. eta vs tors. theta energy: -87.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1288.328163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.328163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.328163 (E_RNA) where: Base-Base interactions energy: -919.966 where: short stacking energy: -358.815 Base-Backbone interact. energy: -3.364 local terms energy: -364.997550 where: bonds (distance) C4'-P energy: -60.852 bonds (distance) P-C4' energy: -71.295 flat angles C4'-P-C4' energy: -88.389 flat angles P-C4'-P energy: -51.380 tors. eta vs tors. theta energy: -93.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1211.728095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.728095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.728095 (E_RNA) where: Base-Base interactions energy: -815.025 where: short stacking energy: -367.655 Base-Backbone interact. energy: -1.795 local terms energy: -394.908283 where: bonds (distance) C4'-P energy: -82.101 bonds (distance) P-C4' energy: -57.656 flat angles C4'-P-C4' energy: -86.867 flat angles P-C4'-P energy: -56.037 tors. eta vs tors. theta energy: -112.248 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: 4 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1050.892804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.892804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.892804 (E_RNA) where: Base-Base interactions energy: -711.774 where: short stacking energy: -331.050 Base-Backbone interact. energy: -0.599 local terms energy: -338.519437 where: bonds (distance) C4'-P energy: -62.281 bonds (distance) P-C4' energy: -64.996 flat angles C4'-P-C4' energy: -76.126 flat angles P-C4'-P energy: -48.512 tors. eta vs tors. theta energy: -86.605 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: 167 Temperature: 1.200000 Total energy: -951.301694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.301694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.301694 (E_RNA) where: Base-Base interactions energy: -619.553 where: short stacking energy: -304.189 Base-Backbone interact. energy: -1.107 local terms energy: -330.642291 where: bonds (distance) C4'-P energy: -80.837 bonds (distance) P-C4' energy: -57.020 flat angles C4'-P-C4' energy: -74.081 flat angles P-C4'-P energy: -40.329 tors. eta vs tors. theta energy: -78.374 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: 5 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -804.320729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.320729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.320729 (E_RNA) where: Base-Base interactions energy: -512.435 where: short stacking energy: -222.581 Base-Backbone interact. energy: -1.800 local terms energy: -290.085967 where: bonds (distance) C4'-P energy: -83.439 bonds (distance) P-C4' energy: -62.395 flat angles C4'-P-C4' energy: -65.486 flat angles P-C4'-P energy: -32.221 tors. eta vs tors. theta energy: -46.545 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: 167 Temperature: 1.300000 Total energy: -593.564123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.564123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.564123 (E_RNA) where: Base-Base interactions energy: -347.026 where: short stacking energy: -182.857 Base-Backbone interact. energy: -2.301 local terms energy: -244.236720 where: bonds (distance) C4'-P energy: -68.018 bonds (distance) P-C4' energy: -58.369 flat angles C4'-P-C4' energy: -55.564 flat angles P-C4'-P energy: -42.971 tors. eta vs tors. theta energy: -19.314 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: 2 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -338.983161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.983161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.983161 (E_RNA) where: Base-Base interactions energy: -127.247 where: short stacking energy: -87.396 Base-Backbone interact. energy: 6.735 local terms energy: -218.471121 where: bonds (distance) C4'-P energy: -59.284 bonds (distance) P-C4' energy: -75.369 flat angles C4'-P-C4' energy: -61.166 flat angles P-C4'-P energy: -27.614 tors. eta vs tors. theta energy: 4.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1428.068961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.068961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.068961 (E_RNA) where: Base-Base interactions energy: -981.714 where: short stacking energy: -423.020 Base-Backbone interact. energy: -0.609 local terms energy: -445.745807 where: bonds (distance) C4'-P energy: -76.773 bonds (distance) P-C4' energy: -80.153 flat angles C4'-P-C4' energy: -90.418 flat angles P-C4'-P energy: -67.084 tors. eta vs tors. theta energy: -131.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1396.410785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.410785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.410785 (E_RNA) where: Base-Base interactions energy: -989.594 where: short stacking energy: -408.276 Base-Backbone interact. energy: -0.781 local terms energy: -406.036352 where: bonds (distance) C4'-P energy: -72.352 bonds (distance) P-C4' energy: -83.741 flat angles C4'-P-C4' energy: -80.475 flat angles P-C4'-P energy: -53.643 tors. eta vs tors. theta energy: -115.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1293.793097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.793097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.793097 (E_RNA) where: Base-Base interactions energy: -932.575 where: short stacking energy: -374.181 Base-Backbone interact. energy: -1.472 local terms energy: -359.745855 where: bonds (distance) C4'-P energy: -63.571 bonds (distance) P-C4' energy: -63.256 flat angles C4'-P-C4' energy: -74.297 flat angles P-C4'-P energy: -60.519 tors. eta vs tors. theta energy: -98.102 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: 8 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1233.307185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.307185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.307185 (E_RNA) where: Base-Base interactions energy: -862.603 where: short stacking energy: -345.804 Base-Backbone interact. energy: -2.030 local terms energy: -368.674064 where: bonds (distance) C4'-P energy: -79.903 bonds (distance) P-C4' energy: -72.105 flat angles C4'-P-C4' energy: -75.405 flat angles P-C4'-P energy: -46.829 tors. eta vs tors. theta energy: -94.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1145.361982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.361982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.361982 (E_RNA) where: Base-Base interactions energy: -778.154 where: short stacking energy: -344.291 Base-Backbone interact. energy: -0.730 local terms energy: -366.478565 where: bonds (distance) C4'-P energy: -70.169 bonds (distance) P-C4' energy: -67.902 flat angles C4'-P-C4' energy: -74.037 flat angles P-C4'-P energy: -56.508 tors. eta vs tors. theta energy: -97.863 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: 4 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1052.082084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.082084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.082084 (E_RNA) where: Base-Base interactions energy: -708.310 where: short stacking energy: -325.026 Base-Backbone interact. energy: -1.978 local terms energy: -341.794712 where: bonds (distance) C4'-P energy: -69.087 bonds (distance) P-C4' energy: -78.951 flat angles C4'-P-C4' energy: -68.945 flat angles P-C4'-P energy: -44.685 tors. eta vs tors. theta energy: -80.127 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: 7 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -942.814638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.814638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.814638 (E_RNA) where: Base-Base interactions energy: -628.045 where: short stacking energy: -288.224 Base-Backbone interact. energy: -2.554 local terms energy: -312.215634 where: bonds (distance) C4'-P energy: -58.711 bonds (distance) P-C4' energy: -70.785 flat angles C4'-P-C4' energy: -71.485 flat angles P-C4'-P energy: -47.707 tors. eta vs tors. theta energy: -63.528 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: 8, replica: 5 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -791.105714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.105714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.105714 (E_RNA) where: Base-Base interactions energy: -489.198 where: short stacking energy: -225.701 Base-Backbone interact. energy: 2.008 local terms energy: -303.915849 where: bonds (distance) C4'-P energy: -69.829 bonds (distance) P-C4' energy: -71.319 flat angles C4'-P-C4' energy: -65.335 flat angles P-C4'-P energy: -51.050 tors. eta vs tors. theta energy: -46.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -567.074522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.074522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.074522 (E_RNA) where: Base-Base interactions energy: -301.231 where: short stacking energy: -160.638 Base-Backbone interact. energy: -2.152 local terms energy: -263.690959 where: bonds (distance) C4'-P energy: -73.978 bonds (distance) P-C4' energy: -76.668 flat angles C4'-P-C4' energy: -54.374 flat angles P-C4'-P energy: -45.384 tors. eta vs tors. theta energy: -13.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -357.231089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.231089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.231089 (E_RNA) where: Base-Base interactions energy: -143.062 where: short stacking energy: -114.275 Base-Backbone interact. energy: 5.197 local terms energy: -219.365760 where: bonds (distance) C4'-P energy: -65.297 bonds (distance) P-C4' energy: -61.232 flat angles C4'-P-C4' energy: -55.481 flat angles P-C4'-P energy: -36.867 tors. eta vs tors. theta energy: -0.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1434.148539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.148539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.148539 (E_RNA) where: Base-Base interactions energy: -1001.176 where: short stacking energy: -432.234 Base-Backbone interact. energy: -2.026 local terms energy: -430.946453 where: bonds (distance) C4'-P energy: -77.141 bonds (distance) P-C4' energy: -71.655 flat angles C4'-P-C4' energy: -97.239 flat angles P-C4'-P energy: -51.559 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: 2, replica: 10 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1409.030722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.030722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.030722 (E_RNA) where: Base-Base interactions energy: -974.624 where: short stacking energy: -399.219 Base-Backbone interact. energy: -2.170 local terms energy: -432.236515 where: bonds (distance) C4'-P energy: -69.984 bonds (distance) P-C4' energy: -87.493 flat angles C4'-P-C4' energy: -87.871 flat angles P-C4'-P energy: -66.732 tors. eta vs tors. theta energy: -120.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1308.944408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.944408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.944408 (E_RNA) where: Base-Base interactions energy: -922.585 where: short stacking energy: -362.943 Base-Backbone interact. energy: -1.517 local terms energy: -384.842508 where: bonds (distance) C4'-P energy: -71.870 bonds (distance) P-C4' energy: -81.671 flat angles C4'-P-C4' energy: -89.015 flat angles P-C4'-P energy: -53.436 tors. eta vs tors. theta energy: -88.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1230.247821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.247821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.247821 (E_RNA) where: Base-Base interactions energy: -839.079 where: short stacking energy: -357.707 Base-Backbone interact. energy: -3.953 local terms energy: -387.216527 where: bonds (distance) C4'-P energy: -75.162 bonds (distance) P-C4' energy: -74.798 flat angles C4'-P-C4' energy: -85.358 flat angles P-C4'-P energy: -56.038 tors. eta vs tors. theta energy: -95.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1170.485032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.485032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.485032 (E_RNA) where: Base-Base interactions energy: -815.898 where: short stacking energy: -333.405 Base-Backbone interact. energy: -1.525 local terms energy: -353.061864 where: bonds (distance) C4'-P energy: -75.438 bonds (distance) P-C4' energy: -61.860 flat angles C4'-P-C4' energy: -80.296 flat angles P-C4'-P energy: -52.563 tors. eta vs tors. theta energy: -82.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1058.968025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.968025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.968025 (E_RNA) where: Base-Base interactions energy: -724.228 where: short stacking energy: -313.688 Base-Backbone interact. energy: -0.848 local terms energy: -333.892741 where: bonds (distance) C4'-P energy: -71.508 bonds (distance) P-C4' energy: -59.505 flat angles C4'-P-C4' energy: -76.447 flat angles P-C4'-P energy: -42.872 tors. eta vs tors. theta energy: -83.561 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: 7 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -961.052384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.052384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.052384 (E_RNA) where: Base-Base interactions energy: -652.812 where: short stacking energy: -253.479 Base-Backbone interact. energy: -1.139 local terms energy: -307.101417 where: bonds (distance) C4'-P energy: -68.146 bonds (distance) P-C4' energy: -68.624 flat angles C4'-P-C4' energy: -68.027 flat angles P-C4'-P energy: -34.185 tors. eta vs tors. theta energy: -68.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -853.098520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.098520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.098520 (E_RNA) where: Base-Base interactions energy: -546.549 where: short stacking energy: -260.736 Base-Backbone interact. energy: -1.256 local terms energy: -305.294438 where: bonds (distance) C4'-P energy: -56.808 bonds (distance) P-C4' energy: -72.950 flat angles C4'-P-C4' energy: -78.541 flat angles P-C4'-P energy: -39.990 tors. eta vs tors. theta energy: -57.005 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: 169 Temperature: 1.300000 Total energy: -549.203793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.203793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.203793 (E_RNA) where: Base-Base interactions energy: -289.299 where: short stacking energy: -162.543 Base-Backbone interact. energy: 2.277 local terms energy: -262.182306 where: bonds (distance) C4'-P energy: -60.673 bonds (distance) P-C4' energy: -69.324 flat angles C4'-P-C4' energy: -69.741 flat angles P-C4'-P energy: -46.494 tors. eta vs tors. theta energy: -15.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -436.903202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.903202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.903202 (E_RNA) where: Base-Base interactions energy: -222.026 where: short stacking energy: -106.703 Base-Backbone interact. energy: -0.178 local terms energy: -214.698728 where: bonds (distance) C4'-P energy: -51.894 bonds (distance) P-C4' energy: -67.851 flat angles C4'-P-C4' energy: -60.414 flat angles P-C4'-P energy: -30.077 tors. eta vs tors. theta energy: -4.462 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: 9 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1428.003266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.003266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.003266 (E_RNA) where: Base-Base interactions energy: -985.477 where: short stacking energy: -428.689 Base-Backbone interact. energy: -2.273 local terms energy: -440.253578 where: bonds (distance) C4'-P energy: -85.101 bonds (distance) P-C4' energy: -74.887 flat angles C4'-P-C4' energy: -88.584 flat angles P-C4'-P energy: -57.843 tors. eta vs tors. theta energy: -133.839 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: 10 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1399.660042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.660042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.660042 (E_RNA) where: Base-Base interactions energy: -976.229 where: short stacking energy: -434.532 Base-Backbone interact. energy: 3.474 local terms energy: -426.905559 where: bonds (distance) C4'-P energy: -74.518 bonds (distance) P-C4' energy: -73.286 flat angles C4'-P-C4' energy: -91.157 flat angles P-C4'-P energy: -67.603 tors. eta vs tors. theta energy: -120.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1322.598971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.598971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.598971 (E_RNA) where: Base-Base interactions energy: -947.120 where: short stacking energy: -374.928 Base-Backbone interact. energy: -3.404 local terms energy: -372.075637 where: bonds (distance) C4'-P energy: -70.197 bonds (distance) P-C4' energy: -62.577 flat angles C4'-P-C4' energy: -82.124 flat angles P-C4'-P energy: -56.636 tors. eta vs tors. theta energy: -100.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1229.452747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.452747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.452747 (E_RNA) where: Base-Base interactions energy: -836.507 where: short stacking energy: -377.181 Base-Backbone interact. energy: 0.434 local terms energy: -393.380128 where: bonds (distance) C4'-P energy: -70.859 bonds (distance) P-C4' energy: -72.315 flat angles C4'-P-C4' energy: -82.638 flat angles P-C4'-P energy: -55.377 tors. eta vs tors. theta energy: -112.190 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: 8 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1152.625527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.625527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.625527 (E_RNA) where: Base-Base interactions energy: -785.066 where: short stacking energy: -315.941 Base-Backbone interact. energy: 5.054 local terms energy: -372.614074 where: bonds (distance) C4'-P energy: -72.188 bonds (distance) P-C4' energy: -75.580 flat angles C4'-P-C4' energy: -72.045 flat angles P-C4'-P energy: -57.420 tors. eta vs tors. theta energy: -95.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1090.775726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.775726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.775726 (E_RNA) where: Base-Base interactions energy: -721.967 where: short stacking energy: -324.716 Base-Backbone interact. energy: -0.374 local terms energy: -368.434900 where: bonds (distance) C4'-P energy: -71.898 bonds (distance) P-C4' energy: -70.521 flat angles C4'-P-C4' energy: -86.711 flat angles P-C4'-P energy: -59.197 tors. eta vs tors. theta energy: -80.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -958.490058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.490058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.490058 (E_RNA) where: Base-Base interactions energy: -640.081 where: short stacking energy: -275.780 Base-Backbone interact. energy: -2.218 local terms energy: -316.190880 where: bonds (distance) C4'-P energy: -67.269 bonds (distance) P-C4' energy: -64.558 flat angles C4'-P-C4' energy: -74.728 flat angles P-C4'-P energy: -40.335 tors. eta vs tors. theta energy: -69.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -819.923285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.923285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.923285 (E_RNA) where: Base-Base interactions energy: -525.360 where: short stacking energy: -251.060 Base-Backbone interact. energy: 3.628 local terms energy: -298.190956 where: bonds (distance) C4'-P energy: -70.051 bonds (distance) P-C4' energy: -59.949 flat angles C4'-P-C4' energy: -72.717 flat angles P-C4'-P energy: -40.209 tors. eta vs tors. theta energy: -55.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -504.408753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.408753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.408753 (E_RNA) where: Base-Base interactions energy: -250.917 where: short stacking energy: -133.702 Base-Backbone interact. energy: -1.402 local terms energy: -252.089360 where: bonds (distance) C4'-P energy: -57.989 bonds (distance) P-C4' energy: -80.399 flat angles C4'-P-C4' energy: -61.930 flat angles P-C4'-P energy: -37.096 tors. eta vs tors. theta energy: -14.676 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: 2 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -477.568920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.568920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.568920 (E_RNA) where: Base-Base interactions energy: -235.635 where: short stacking energy: -150.026 Base-Backbone interact. energy: -1.308 local terms energy: -240.625479 where: bonds (distance) C4'-P energy: -65.752 bonds (distance) P-C4' energy: -64.058 flat angles C4'-P-C4' energy: -55.563 flat angles P-C4'-P energy: -37.288 tors. eta vs tors. theta energy: -17.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1417.561195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.561195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.561195 (E_RNA) where: Base-Base interactions energy: -982.975 where: short stacking energy: -422.538 Base-Backbone interact. energy: -0.780 local terms energy: -433.805657 where: bonds (distance) C4'-P energy: -76.096 bonds (distance) P-C4' energy: -74.161 flat angles C4'-P-C4' energy: -94.667 flat angles P-C4'-P energy: -67.519 tors. eta vs tors. theta energy: -121.363 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: 2, replica: 10 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1398.664932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.664932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.664932 (E_RNA) where: Base-Base interactions energy: -984.628 where: short stacking energy: -409.754 Base-Backbone interact. energy: -1.338 local terms energy: -412.698481 where: bonds (distance) C4'-P energy: -67.380 bonds (distance) P-C4' energy: -81.662 flat angles C4'-P-C4' energy: -84.846 flat angles P-C4'-P energy: -64.712 tors. eta vs tors. theta energy: -114.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1323.527518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.527518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.527518 (E_RNA) where: Base-Base interactions energy: -933.569 where: short stacking energy: -371.310 Base-Backbone interact. energy: -2.270 local terms energy: -387.688092 where: bonds (distance) C4'-P energy: -81.528 bonds (distance) P-C4' energy: -65.125 flat angles C4'-P-C4' energy: -88.191 flat angles P-C4'-P energy: -59.191 tors. eta vs tors. theta energy: -93.653 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: 4, replica: 6 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1229.107953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.107953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.107953 (E_RNA) where: Base-Base interactions energy: -814.595 where: short stacking energy: -360.444 Base-Backbone interact. energy: -1.961 local terms energy: -412.551758 where: bonds (distance) C4'-P energy: -83.124 bonds (distance) P-C4' energy: -76.089 flat angles C4'-P-C4' energy: -93.520 flat angles P-C4'-P energy: -55.208 tors. eta vs tors. theta energy: -104.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1157.943864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.943864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.943864 (E_RNA) where: Base-Base interactions energy: -795.428 where: short stacking energy: -332.145 Base-Backbone interact. energy: -1.998 local terms energy: -360.517031 where: bonds (distance) C4'-P energy: -53.628 bonds (distance) P-C4' energy: -69.167 flat angles C4'-P-C4' energy: -81.728 flat angles P-C4'-P energy: -62.431 tors. eta vs tors. theta energy: -93.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1059.649849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.649849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.649849 (E_RNA) where: Base-Base interactions energy: -692.252 where: short stacking energy: -313.981 Base-Backbone interact. energy: -2.326 local terms energy: -365.071046 where: bonds (distance) C4'-P energy: -70.702 bonds (distance) P-C4' energy: -67.019 flat angles C4'-P-C4' energy: -84.251 flat angles P-C4'-P energy: -57.174 tors. eta vs tors. theta energy: -85.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1009.159517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.159517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.159517 (E_RNA) where: Base-Base interactions energy: -702.090 where: short stacking energy: -285.752 Base-Backbone interact. energy: -2.181 local terms energy: -304.888889 where: bonds (distance) C4'-P energy: -55.777 bonds (distance) P-C4' energy: -58.925 flat angles C4'-P-C4' energy: -67.273 flat angles P-C4'-P energy: -52.348 tors. eta vs tors. theta energy: -70.566 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: 8, replica: 5 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -806.306129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.306129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.306129 (E_RNA) where: Base-Base interactions energy: -526.979 where: short stacking energy: -241.003 Base-Backbone interact. energy: 2.045 local terms energy: -281.371861 where: bonds (distance) C4'-P energy: -60.575 bonds (distance) P-C4' energy: -57.649 flat angles C4'-P-C4' energy: -70.645 flat angles P-C4'-P energy: -40.896 tors. eta vs tors. theta energy: -51.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -486.524769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.524769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.524769 (E_RNA) where: Base-Base interactions energy: -252.364 where: short stacking energy: -148.164 Base-Backbone interact. energy: -1.206 local terms energy: -232.954439 where: bonds (distance) C4'-P energy: -64.787 bonds (distance) P-C4' energy: -79.154 flat angles C4'-P-C4' energy: -64.182 flat angles P-C4'-P energy: -28.640 tors. eta vs tors. theta energy: 3.809 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: 2 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -473.813758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.813758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.813758 (E_RNA) where: Base-Base interactions energy: -240.316 where: short stacking energy: -130.340 Base-Backbone interact. energy: -0.798 local terms energy: -232.699705 where: bonds (distance) C4'-P energy: -66.124 bonds (distance) P-C4' energy: -70.669 flat angles C4'-P-C4' energy: -50.617 flat angles P-C4'-P energy: -38.543 tors. eta vs tors. theta energy: -6.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1426.709052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.709052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.709052 (E_RNA) where: Base-Base interactions energy: -988.458 where: short stacking energy: -418.938 Base-Backbone interact. energy: -0.786 local terms energy: -437.465016 where: bonds (distance) C4'-P energy: -86.377 bonds (distance) P-C4' energy: -64.205 flat angles C4'-P-C4' energy: -100.347 flat angles P-C4'-P energy: -56.039 tors. eta vs tors. theta energy: -130.496 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: 10 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1392.170210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.170210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.170210 (E_RNA) where: Base-Base interactions energy: -973.679 where: short stacking energy: -398.717 Base-Backbone interact. energy: -3.652 local terms energy: -414.839083 where: bonds (distance) C4'-P energy: -71.204 bonds (distance) P-C4' energy: -78.888 flat angles C4'-P-C4' energy: -85.540 flat angles P-C4'-P energy: -68.040 tors. eta vs tors. theta energy: -111.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1337.617627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.617627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.617627 (E_RNA) where: Base-Base interactions energy: -930.767 where: short stacking energy: -384.866 Base-Backbone interact. energy: -2.458 local terms energy: -404.391903 where: bonds (distance) C4'-P energy: -80.594 bonds (distance) P-C4' energy: -67.275 flat angles C4'-P-C4' energy: -91.421 flat angles P-C4'-P energy: -55.691 tors. eta vs tors. theta energy: -109.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1212.532324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.532324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.532324 (E_RNA) where: Base-Base interactions energy: -833.962 where: short stacking energy: -383.711 Base-Backbone interact. energy: -0.650 local terms energy: -377.921046 where: bonds (distance) C4'-P energy: -70.528 bonds (distance) P-C4' energy: -79.260 flat angles C4'-P-C4' energy: -84.038 flat angles P-C4'-P energy: -42.334 tors. eta vs tors. theta energy: -101.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1172.142681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.142681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.142681 (E_RNA) where: Base-Base interactions energy: -789.717 where: short stacking energy: -326.534 Base-Backbone interact. energy: -1.737 local terms energy: -380.689359 where: bonds (distance) C4'-P energy: -62.007 bonds (distance) P-C4' energy: -88.845 flat angles C4'-P-C4' energy: -87.478 flat angles P-C4'-P energy: -57.124 tors. eta vs tors. theta energy: -85.235 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: 6, replica: 4 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1111.735775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.735775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.735775 (E_RNA) where: Base-Base interactions energy: -759.384 where: short stacking energy: -320.981 Base-Backbone interact. energy: -1.434 local terms energy: -350.917749 where: bonds (distance) C4'-P energy: -61.178 bonds (distance) P-C4' energy: -80.871 flat angles C4'-P-C4' energy: -75.367 flat angles P-C4'-P energy: -51.908 tors. eta vs tors. theta energy: -81.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -998.028763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.028763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.028763 (E_RNA) where: Base-Base interactions energy: -678.005 where: short stacking energy: -293.620 Base-Backbone interact. energy: 1.569 local terms energy: -321.593404 where: bonds (distance) C4'-P energy: -65.543 bonds (distance) P-C4' energy: -57.419 flat angles C4'-P-C4' energy: -78.824 flat angles P-C4'-P energy: -44.440 tors. eta vs tors. theta energy: -75.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -775.124315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.124315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.124315 (E_RNA) where: Base-Base interactions energy: -497.637 where: short stacking energy: -224.215 Base-Backbone interact. energy: -1.022 local terms energy: -276.465141 where: bonds (distance) C4'-P energy: -72.935 bonds (distance) P-C4' energy: -65.444 flat angles C4'-P-C4' energy: -63.073 flat angles P-C4'-P energy: -39.779 tors. eta vs tors. theta energy: -35.234 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: 9, replica: 2 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -506.687838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.687838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.687838 (E_RNA) where: Base-Base interactions energy: -262.177 where: short stacking energy: -155.101 Base-Backbone interact. energy: 1.484 local terms energy: -245.994963 where: bonds (distance) C4'-P energy: -72.026 bonds (distance) P-C4' energy: -67.294 flat angles C4'-P-C4' energy: -54.817 flat angles P-C4'-P energy: -39.522 tors. eta vs tors. theta energy: -12.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -458.716937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.716937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.716937 (E_RNA) where: Base-Base interactions energy: -240.573 where: short stacking energy: -137.653 Base-Backbone interact. energy: -2.578 local terms energy: -215.566046 where: bonds (distance) C4'-P energy: -52.654 bonds (distance) P-C4' energy: -71.210 flat angles C4'-P-C4' energy: -60.521 flat angles P-C4'-P energy: -31.105 tors. eta vs tors. theta energy: -0.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1417.513203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.513203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.513203 (E_RNA) where: Base-Base interactions energy: -983.892 where: short stacking energy: -418.016 Base-Backbone interact. energy: -1.182 local terms energy: -432.439935 where: bonds (distance) C4'-P energy: -82.467 bonds (distance) P-C4' energy: -73.366 flat angles C4'-P-C4' energy: -84.337 flat angles P-C4'-P energy: -69.855 tors. eta vs tors. theta energy: -122.415 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: 10 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1376.164476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.164476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.164476 (E_RNA) where: Base-Base interactions energy: -988.417 where: short stacking energy: -408.533 Base-Backbone interact. energy: -0.332 local terms energy: -387.415698 where: bonds (distance) C4'-P energy: -67.475 bonds (distance) P-C4' energy: -67.562 flat angles C4'-P-C4' energy: -82.325 flat angles P-C4'-P energy: -55.430 tors. eta vs tors. theta energy: -114.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1305.623051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.623051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.623051 (E_RNA) where: Base-Base interactions energy: -909.771 where: short stacking energy: -382.527 Base-Backbone interact. energy: -1.422 local terms energy: -394.430652 where: bonds (distance) C4'-P energy: -73.970 bonds (distance) P-C4' energy: -78.427 flat angles C4'-P-C4' energy: -84.192 flat angles P-C4'-P energy: -50.436 tors. eta vs tors. theta energy: -107.406 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: 4, replica: 6 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1256.300074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.300074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.300074 (E_RNA) where: Base-Base interactions energy: -861.943 where: short stacking energy: -395.857 Base-Backbone interact. energy: -4.073 local terms energy: -390.284558 where: bonds (distance) C4'-P energy: -61.527 bonds (distance) P-C4' energy: -72.380 flat angles C4'-P-C4' energy: -81.392 flat angles P-C4'-P energy: -63.143 tors. eta vs tors. theta energy: -111.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1141.377938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.377938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.377938 (E_RNA) where: Base-Base interactions energy: -769.368 where: short stacking energy: -333.888 Base-Backbone interact. energy: -2.631 local terms energy: -369.379376 where: bonds (distance) C4'-P energy: -76.691 bonds (distance) P-C4' energy: -68.982 flat angles C4'-P-C4' energy: -70.516 flat angles P-C4'-P energy: -62.035 tors. eta vs tors. theta energy: -91.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1112.523390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.523390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.523390 (E_RNA) where: Base-Base interactions energy: -740.050 where: short stacking energy: -338.118 Base-Backbone interact. energy: -1.939 local terms energy: -370.534294 where: bonds (distance) C4'-P energy: -59.476 bonds (distance) P-C4' energy: -86.574 flat angles C4'-P-C4' energy: -76.358 flat angles P-C4'-P energy: -56.358 tors. eta vs tors. theta energy: -91.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -997.150630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.150630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.150630 (E_RNA) where: Base-Base interactions energy: -668.734 where: short stacking energy: -291.291 Base-Backbone interact. energy: 2.101 local terms energy: -330.517688 where: bonds (distance) C4'-P energy: -71.154 bonds (distance) P-C4' energy: -70.964 flat angles C4'-P-C4' energy: -74.730 flat angles P-C4'-P energy: -43.352 tors. eta vs tors. theta energy: -70.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -694.763419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.763419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.763419 (E_RNA) where: Base-Base interactions energy: -432.736 where: short stacking energy: -209.647 Base-Backbone interact. energy: 2.366 local terms energy: -264.393141 where: bonds (distance) C4'-P energy: -58.989 bonds (distance) P-C4' energy: -62.625 flat angles C4'-P-C4' energy: -61.070 flat angles P-C4'-P energy: -45.366 tors. eta vs tors. theta energy: -36.343 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: 9, replica: 2 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -448.307319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.307319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.307319 (E_RNA) where: Base-Base interactions energy: -242.384 where: short stacking energy: -153.724 Base-Backbone interact. energy: 0.751 local terms energy: -206.674206 where: bonds (distance) C4'-P energy: -41.209 bonds (distance) P-C4' energy: -57.652 flat angles C4'-P-C4' energy: -57.099 flat angles P-C4'-P energy: -31.486 tors. eta vs tors. theta energy: -19.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -337.460283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.460283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.460283 (E_RNA) where: Base-Base interactions energy: -145.228 where: short stacking energy: -113.196 Base-Backbone interact. energy: -1.722 local terms energy: -190.509558 where: bonds (distance) C4'-P energy: -43.384 bonds (distance) P-C4' energy: -62.654 flat angles C4'-P-C4' energy: -56.296 flat angles P-C4'-P energy: -37.335 tors. eta vs tors. theta energy: 9.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1424.895179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.895179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.895179 (E_RNA) where: Base-Base interactions energy: -982.934 where: short stacking energy: -428.259 Base-Backbone interact. energy: -2.124 local terms energy: -439.837297 where: bonds (distance) C4'-P energy: -76.444 bonds (distance) P-C4' energy: -81.613 flat angles C4'-P-C4' energy: -91.725 flat angles P-C4'-P energy: -66.281 tors. eta vs tors. theta energy: -123.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1394.041274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.041274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.041274 (E_RNA) where: Base-Base interactions energy: -966.396 where: short stacking energy: -415.448 Base-Backbone interact. energy: -4.573 local terms energy: -423.072013 where: bonds (distance) C4'-P energy: -81.864 bonds (distance) P-C4' energy: -82.442 flat angles C4'-P-C4' energy: -88.457 flat angles P-C4'-P energy: -56.856 tors. eta vs tors. theta energy: -113.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1244.306041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.306041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.306041 (E_RNA) where: Base-Base interactions energy: -840.146 where: short stacking energy: -390.749 Base-Backbone interact. energy: -3.204 local terms energy: -400.956457 where: bonds (distance) C4'-P energy: -74.415 bonds (distance) P-C4' energy: -76.982 flat angles C4'-P-C4' energy: -88.604 flat angles P-C4'-P energy: -46.773 tors. eta vs tors. theta energy: -114.184 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: 4, replica: 3 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1277.646160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.646160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.646160 (E_RNA) where: Base-Base interactions energy: -881.225 where: short stacking energy: -363.070 Base-Backbone interact. energy: -3.829 local terms energy: -392.592215 where: bonds (distance) C4'-P energy: -70.550 bonds (distance) P-C4' energy: -72.048 flat angles C4'-P-C4' energy: -86.697 flat angles P-C4'-P energy: -54.902 tors. eta vs tors. theta energy: -108.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1135.014907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.014907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.014907 (E_RNA) where: Base-Base interactions energy: -774.991 where: short stacking energy: -346.263 Base-Backbone interact. energy: -0.518 local terms energy: -359.505968 where: bonds (distance) C4'-P energy: -66.105 bonds (distance) P-C4' energy: -67.622 flat angles C4'-P-C4' energy: -81.705 flat angles P-C4'-P energy: -49.995 tors. eta vs tors. theta energy: -94.079 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: 4 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1066.656752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.656752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.656752 (E_RNA) where: Base-Base interactions energy: -736.376 where: short stacking energy: -330.588 Base-Backbone interact. energy: -1.456 local terms energy: -328.824771 where: bonds (distance) C4'-P energy: -55.704 bonds (distance) P-C4' energy: -67.018 flat angles C4'-P-C4' energy: -79.244 flat angles P-C4'-P energy: -53.022 tors. eta vs tors. theta energy: -73.836 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: 7 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -982.259308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.259308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.259308 (E_RNA) where: Base-Base interactions energy: -664.742 where: short stacking energy: -299.203 Base-Backbone interact. energy: -0.912 local terms energy: -316.605158 where: bonds (distance) C4'-P energy: -65.014 bonds (distance) P-C4' energy: -61.696 flat angles C4'-P-C4' energy: -68.609 flat angles P-C4'-P energy: -39.981 tors. eta vs tors. theta energy: -81.307 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: 5 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -750.130200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.130200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.130200 (E_RNA) where: Base-Base interactions energy: -456.262 where: short stacking energy: -221.852 Base-Backbone interact. energy: -1.526 local terms energy: -292.342364 where: bonds (distance) C4'-P energy: -68.043 bonds (distance) P-C4' energy: -72.947 flat angles C4'-P-C4' energy: -63.392 flat angles P-C4'-P energy: -40.625 tors. eta vs tors. theta energy: -47.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -512.679487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.679487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.679487 (E_RNA) where: Base-Base interactions energy: -233.210 where: short stacking energy: -133.378 Base-Backbone interact. energy: 3.219 local terms energy: -282.688300 where: bonds (distance) C4'-P energy: -74.793 bonds (distance) P-C4' energy: -75.022 flat angles C4'-P-C4' energy: -78.770 flat angles P-C4'-P energy: -46.668 tors. eta vs tors. theta energy: -7.435 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: 1 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -342.974294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -342.974294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -342.974294 (E_RNA) where: Base-Base interactions energy: -135.190 where: short stacking energy: -100.395 Base-Backbone interact. energy: -2.295 local terms energy: -205.489490 where: bonds (distance) C4'-P energy: -71.648 bonds (distance) P-C4' energy: -63.636 flat angles C4'-P-C4' energy: -39.683 flat angles P-C4'-P energy: -26.383 tors. eta vs tors. theta energy: -4.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1427.631591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.631591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.631591 (E_RNA) where: Base-Base interactions energy: -990.382 where: short stacking energy: -440.478 Base-Backbone interact. energy: -2.564 local terms energy: -434.685364 where: bonds (distance) C4'-P energy: -76.730 bonds (distance) P-C4' energy: -82.172 flat angles C4'-P-C4' energy: -90.935 flat angles P-C4'-P energy: -61.733 tors. eta vs tors. theta energy: -123.116 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: 2, replica: 10 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1378.479149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.479149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.479149 (E_RNA) where: Base-Base interactions energy: -989.232 where: short stacking energy: -398.247 Base-Backbone interact. energy: 0.627 local terms energy: -389.874783 where: bonds (distance) C4'-P energy: -65.505 bonds (distance) P-C4' energy: -73.693 flat angles C4'-P-C4' energy: -77.726 flat angles P-C4'-P energy: -60.512 tors. eta vs tors. theta energy: -112.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1274.905333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.905333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.905333 (E_RNA) where: Base-Base interactions energy: -853.027 where: short stacking energy: -388.472 Base-Backbone interact. energy: -1.547 local terms energy: -420.331874 where: bonds (distance) C4'-P energy: -76.471 bonds (distance) P-C4' energy: -80.989 flat angles C4'-P-C4' energy: -87.400 flat angles P-C4'-P energy: -58.176 tors. eta vs tors. theta energy: -117.296 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: 3 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1274.495300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.495300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.495300 (E_RNA) where: Base-Base interactions energy: -904.201 where: short stacking energy: -374.160 Base-Backbone interact. energy: -1.913 local terms energy: -368.381285 where: bonds (distance) C4'-P energy: -71.653 bonds (distance) P-C4' energy: -55.064 flat angles C4'-P-C4' energy: -89.501 flat angles P-C4'-P energy: -48.673 tors. eta vs tors. theta energy: -103.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1145.654146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.654146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.654146 (E_RNA) where: Base-Base interactions energy: -768.930 where: short stacking energy: -347.023 Base-Backbone interact. energy: -2.245 local terms energy: -374.479214 where: bonds (distance) C4'-P energy: -76.699 bonds (distance) P-C4' energy: -80.205 flat angles C4'-P-C4' energy: -83.395 flat angles P-C4'-P energy: -42.556 tors. eta vs tors. theta energy: -91.623 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: 6, replica: 4 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1073.208051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.208051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.208051 (E_RNA) where: Base-Base interactions energy: -723.055 where: short stacking energy: -322.573 Base-Backbone interact. energy: 0.264 local terms energy: -350.416798 where: bonds (distance) C4'-P energy: -72.501 bonds (distance) P-C4' energy: -78.413 flat angles C4'-P-C4' energy: -77.758 flat angles P-C4'-P energy: -45.789 tors. eta vs tors. theta energy: -75.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1016.768609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.768609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.768609 (E_RNA) where: Base-Base interactions energy: -691.494 where: short stacking energy: -303.375 Base-Backbone interact. energy: -0.788 local terms energy: -324.487021 where: bonds (distance) C4'-P energy: -69.043 bonds (distance) P-C4' energy: -72.553 flat angles C4'-P-C4' energy: -61.214 flat angles P-C4'-P energy: -40.440 tors. eta vs tors. theta energy: -81.236 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: 5 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -737.219339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.219339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.219339 (E_RNA) where: Base-Base interactions energy: -460.616 where: short stacking energy: -236.385 Base-Backbone interact. energy: -0.685 local terms energy: -275.918447 where: bonds (distance) C4'-P energy: -63.288 bonds (distance) P-C4' energy: -52.958 flat angles C4'-P-C4' energy: -70.597 flat angles P-C4'-P energy: -49.988 tors. eta vs tors. theta energy: -39.087 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: 2 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -536.659791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.659791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.659791 (E_RNA) where: Base-Base interactions energy: -274.844 where: short stacking energy: -165.282 Base-Backbone interact. energy: -1.772 local terms energy: -260.043503 where: bonds (distance) C4'-P energy: -77.233 bonds (distance) P-C4' energy: -64.739 flat angles C4'-P-C4' energy: -60.449 flat angles P-C4'-P energy: -33.160 tors. eta vs tors. theta energy: -24.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -320.932043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.932043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.932043 (E_RNA) where: Base-Base interactions energy: -127.018 where: short stacking energy: -92.486 Base-Backbone interact. energy: 5.481 local terms energy: -199.395437 where: bonds (distance) C4'-P energy: -60.721 bonds (distance) P-C4' energy: -63.799 flat angles C4'-P-C4' energy: -63.748 flat angles P-C4'-P energy: -18.806 tors. eta vs tors. theta energy: 7.678 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: 9 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1416.300460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.300460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.300460 (E_RNA) where: Base-Base interactions energy: -966.451 where: short stacking energy: -423.883 Base-Backbone interact. energy: -2.731 local terms energy: -447.118664 where: bonds (distance) C4'-P energy: -79.398 bonds (distance) P-C4' energy: -80.102 flat angles C4'-P-C4' energy: -95.541 flat angles P-C4'-P energy: -67.419 tors. eta vs tors. theta energy: -124.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1376.116084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.116084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.116084 (E_RNA) where: Base-Base interactions energy: -981.554 where: short stacking energy: -409.175 Base-Backbone interact. energy: -3.190 local terms energy: -391.372495 where: bonds (distance) C4'-P energy: -78.130 bonds (distance) P-C4' energy: -60.670 flat angles C4'-P-C4' energy: -81.186 flat angles P-C4'-P energy: -57.865 tors. eta vs tors. theta energy: -113.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1278.057135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.057135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.057135 (E_RNA) where: Base-Base interactions energy: -877.598 where: short stacking energy: -407.752 Base-Backbone interact. energy: -1.156 local terms energy: -399.303477 where: bonds (distance) C4'-P energy: -75.396 bonds (distance) P-C4' energy: -64.795 flat angles C4'-P-C4' energy: -84.033 flat angles P-C4'-P energy: -53.768 tors. eta vs tors. theta energy: -121.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1234.051783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.051783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.051783 (E_RNA) where: Base-Base interactions energy: -854.931 where: short stacking energy: -352.648 Base-Backbone interact. energy: -3.735 local terms energy: -375.386030 where: bonds (distance) C4'-P energy: -82.968 bonds (distance) P-C4' energy: -60.537 flat angles C4'-P-C4' energy: -86.057 flat angles P-C4'-P energy: -50.733 tors. eta vs tors. theta energy: -95.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1135.174270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.174270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.174270 (E_RNA) where: Base-Base interactions energy: -772.821 where: short stacking energy: -347.014 Base-Backbone interact. energy: -1.960 local terms energy: -360.393139 where: bonds (distance) C4'-P energy: -70.963 bonds (distance) P-C4' energy: -60.089 flat angles C4'-P-C4' energy: -90.097 flat angles P-C4'-P energy: -45.391 tors. eta vs tors. theta energy: -93.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1060.484627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.484627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.484627 (E_RNA) where: Base-Base interactions energy: -719.557 where: short stacking energy: -324.744 Base-Backbone interact. energy: 1.576 local terms energy: -342.503427 where: bonds (distance) C4'-P energy: -54.390 bonds (distance) P-C4' energy: -65.868 flat angles C4'-P-C4' energy: -72.433 flat angles P-C4'-P energy: -60.682 tors. eta vs tors. theta energy: -89.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1015.876796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.876796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.876796 (E_RNA) where: Base-Base interactions energy: -701.862 where: short stacking energy: -308.335 Base-Backbone interact. energy: -1.288 local terms energy: -312.727007 where: bonds (distance) C4'-P energy: -61.012 bonds (distance) P-C4' energy: -70.091 flat angles C4'-P-C4' energy: -72.370 flat angles P-C4'-P energy: -34.892 tors. eta vs tors. theta energy: -74.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -764.282150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.282150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.282150 (E_RNA) where: Base-Base interactions energy: -490.648 where: short stacking energy: -201.496 Base-Backbone interact. energy: -0.140 local terms energy: -273.494665 where: bonds (distance) C4'-P energy: -64.609 bonds (distance) P-C4' energy: -65.005 flat angles C4'-P-C4' energy: -68.012 flat angles P-C4'-P energy: -40.789 tors. eta vs tors. theta energy: -35.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -500.269444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.269444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.269444 (E_RNA) where: Base-Base interactions energy: -270.388 where: short stacking energy: -157.698 Base-Backbone interact. energy: 2.554 local terms energy: -232.435514 where: bonds (distance) C4'-P energy: -67.011 bonds (distance) P-C4' energy: -57.673 flat angles C4'-P-C4' energy: -63.557 flat angles P-C4'-P energy: -35.428 tors. eta vs tors. theta energy: -8.767 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: 1 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -359.947023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.947023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.947023 (E_RNA) where: Base-Base interactions energy: -152.399 where: short stacking energy: -99.529 Base-Backbone interact. energy: -2.523 local terms energy: -205.024652 where: bonds (distance) C4'-P energy: -61.743 bonds (distance) P-C4' energy: -74.153 flat angles C4'-P-C4' energy: -51.696 flat angles P-C4'-P energy: -31.721 tors. eta vs tors. theta energy: 14.289 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: 9 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1393.006672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.006672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.006672 (E_RNA) where: Base-Base interactions energy: -948.489 where: short stacking energy: -435.448 Base-Backbone interact. energy: -2.160 local terms energy: -442.358368 where: bonds (distance) C4'-P energy: -75.825 bonds (distance) P-C4' energy: -73.374 flat angles C4'-P-C4' energy: -92.156 flat angles P-C4'-P energy: -76.325 tors. eta vs tors. theta energy: -124.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1395.686213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.686213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.686213 (E_RNA) where: Base-Base interactions energy: -972.584 where: short stacking energy: -403.363 Base-Backbone interact. energy: -4.397 local terms energy: -418.704780 where: bonds (distance) C4'-P energy: -73.080 bonds (distance) P-C4' energy: -78.180 flat angles C4'-P-C4' energy: -96.463 flat angles P-C4'-P energy: -58.332 tors. eta vs tors. theta energy: -112.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1260.738106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.738106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.738106 (E_RNA) where: Base-Base interactions energy: -847.931 where: short stacking energy: -363.273 Base-Backbone interact. energy: -1.872 local terms energy: -410.935483 where: bonds (distance) C4'-P energy: -80.469 bonds (distance) P-C4' energy: -76.706 flat angles C4'-P-C4' energy: -88.850 flat angles P-C4'-P energy: -63.159 tors. eta vs tors. theta energy: -101.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1268.979337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.979337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.979337 (E_RNA) where: Base-Base interactions energy: -875.180 where: short stacking energy: -373.070 Base-Backbone interact. energy: -1.767 local terms energy: -392.032726 where: bonds (distance) C4'-P energy: -85.730 bonds (distance) P-C4' energy: -70.975 flat angles C4'-P-C4' energy: -79.542 flat angles P-C4'-P energy: -53.128 tors. eta vs tors. theta energy: -102.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1162.148249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.148249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.148249 (E_RNA) where: Base-Base interactions energy: -798.394 where: short stacking energy: -346.093 Base-Backbone interact. energy: -1.794 local terms energy: -361.960279 where: bonds (distance) C4'-P energy: -70.336 bonds (distance) P-C4' energy: -65.626 flat angles C4'-P-C4' energy: -75.550 flat angles P-C4'-P energy: -52.484 tors. eta vs tors. theta energy: -97.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1059.401683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.401683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.401683 (E_RNA) where: Base-Base interactions energy: -704.738 where: short stacking energy: -305.028 Base-Backbone interact. energy: -1.653 local terms energy: -353.010198 where: bonds (distance) C4'-P energy: -69.369 bonds (distance) P-C4' energy: -75.379 flat angles C4'-P-C4' energy: -71.040 flat angles P-C4'-P energy: -55.094 tors. eta vs tors. theta energy: -82.129 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: 7 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -995.340745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.340745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.340745 (E_RNA) where: Base-Base interactions energy: -684.548 where: short stacking energy: -301.323 Base-Backbone interact. energy: -2.251 local terms energy: -308.541979 where: bonds (distance) C4'-P energy: -57.152 bonds (distance) P-C4' energy: -66.591 flat angles C4'-P-C4' energy: -68.994 flat angles P-C4'-P energy: -43.476 tors. eta vs tors. theta energy: -72.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -749.684826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.684826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.684826 (E_RNA) where: Base-Base interactions energy: -486.480 where: short stacking energy: -231.297 Base-Backbone interact. energy: -2.348 local terms energy: -260.857011 where: bonds (distance) C4'-P energy: -61.405 bonds (distance) P-C4' energy: -59.378 flat angles C4'-P-C4' energy: -61.509 flat angles P-C4'-P energy: -26.943 tors. eta vs tors. theta energy: -51.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -473.580727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.580727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.580727 (E_RNA) where: Base-Base interactions energy: -237.428 where: short stacking energy: -154.858 Base-Backbone interact. energy: -1.938 local terms energy: -234.214775 where: bonds (distance) C4'-P energy: -49.308 bonds (distance) P-C4' energy: -73.030 flat angles C4'-P-C4' energy: -58.857 flat angles P-C4'-P energy: -38.821 tors. eta vs tors. theta energy: -14.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -433.372721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.372721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.372721 (E_RNA) where: Base-Base interactions energy: -230.563 where: short stacking energy: -143.503 Base-Backbone interact. energy: -0.420 local terms energy: -202.389393 where: bonds (distance) C4'-P energy: -69.490 bonds (distance) P-C4' energy: -62.024 flat angles C4'-P-C4' energy: -48.586 flat angles P-C4'-P energy: -22.152 tors. eta vs tors. theta energy: -0.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1407.839822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.839822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.839822 (E_RNA) where: Base-Base interactions energy: -972.794 where: short stacking energy: -436.248 Base-Backbone interact. energy: -0.594 local terms energy: -434.451795 where: bonds (distance) C4'-P energy: -77.948 bonds (distance) P-C4' energy: -85.666 flat angles C4'-P-C4' energy: -87.517 flat angles P-C4'-P energy: -67.130 tors. eta vs tors. theta energy: -116.190 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: 10 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1383.622121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.622121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.622121 (E_RNA) where: Base-Base interactions energy: -976.081 where: short stacking energy: -415.702 Base-Backbone interact. energy: -2.181 local terms energy: -405.360790 where: bonds (distance) C4'-P energy: -82.881 bonds (distance) P-C4' energy: -71.151 flat angles C4'-P-C4' energy: -83.162 flat angles P-C4'-P energy: -52.201 tors. eta vs tors. theta energy: -115.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1269.877800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.877800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.877800 (E_RNA) where: Base-Base interactions energy: -863.373 where: short stacking energy: -378.637 Base-Backbone interact. energy: -2.572 local terms energy: -403.932518 where: bonds (distance) C4'-P energy: -76.317 bonds (distance) P-C4' energy: -78.694 flat angles C4'-P-C4' energy: -80.848 flat angles P-C4'-P energy: -58.415 tors. eta vs tors. theta energy: -109.659 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: 4, replica: 3 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1290.986931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.986931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.986931 (E_RNA) where: Base-Base interactions energy: -894.701 where: short stacking energy: -362.168 Base-Backbone interact. energy: -3.360 local terms energy: -392.926451 where: bonds (distance) C4'-P energy: -65.370 bonds (distance) P-C4' energy: -79.150 flat angles C4'-P-C4' energy: -86.477 flat angles P-C4'-P energy: -60.763 tors. eta vs tors. theta energy: -101.167 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: 8 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1125.368577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.368577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.368577 (E_RNA) where: Base-Base interactions energy: -731.940 where: short stacking energy: -312.615 Base-Backbone interact. energy: -0.729 local terms energy: -392.699631 where: bonds (distance) C4'-P energy: -74.456 bonds (distance) P-C4' energy: -79.752 flat angles C4'-P-C4' energy: -83.584 flat angles P-C4'-P energy: -61.831 tors. eta vs tors. theta energy: -93.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1039.458261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.458261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.458261 (E_RNA) where: Base-Base interactions energy: -715.901 where: short stacking energy: -297.663 Base-Backbone interact. energy: 0.289 local terms energy: -323.846802 where: bonds (distance) C4'-P energy: -65.947 bonds (distance) P-C4' energy: -70.187 flat angles C4'-P-C4' energy: -69.455 flat angles P-C4'-P energy: -47.493 tors. eta vs tors. theta energy: -70.766 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: 7, replica: 7 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -997.125708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.125708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.125708 (E_RNA) where: Base-Base interactions energy: -673.269 where: short stacking energy: -284.133 Base-Backbone interact. energy: -1.265 local terms energy: -322.591669 where: bonds (distance) C4'-P energy: -64.202 bonds (distance) P-C4' energy: -66.338 flat angles C4'-P-C4' energy: -69.757 flat angles P-C4'-P energy: -51.301 tors. eta vs tors. theta energy: -70.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -761.451291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.451291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.451291 (E_RNA) where: Base-Base interactions energy: -482.318 where: short stacking energy: -245.386 Base-Backbone interact. energy: -2.544 local terms energy: -276.589450 where: bonds (distance) C4'-P energy: -67.357 bonds (distance) P-C4' energy: -60.863 flat angles C4'-P-C4' energy: -63.639 flat angles P-C4'-P energy: -35.832 tors. eta vs tors. theta energy: -48.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -513.517876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.517876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.517876 (E_RNA) where: Base-Base interactions energy: -272.363 where: short stacking energy: -136.586 Base-Backbone interact. energy: 0.641 local terms energy: -241.795917 where: bonds (distance) C4'-P energy: -69.918 bonds (distance) P-C4' energy: -53.978 flat angles C4'-P-C4' energy: -63.623 flat angles P-C4'-P energy: -47.423 tors. eta vs tors. theta energy: -6.854 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: 2 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -418.196787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.196787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.196787 (E_RNA) where: Base-Base interactions energy: -199.385 where: short stacking energy: -121.346 Base-Backbone interact. energy: -1.685 local terms energy: -217.127050 where: bonds (distance) C4'-P energy: -66.134 bonds (distance) P-C4' energy: -63.050 flat angles C4'-P-C4' energy: -54.146 flat angles P-C4'-P energy: -27.306 tors. eta vs tors. theta energy: -6.491 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: 1, replica: 9 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1421.812981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.812981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.812981 (E_RNA) where: Base-Base interactions energy: -980.746 where: short stacking energy: -424.193 Base-Backbone interact. energy: -1.704 local terms energy: -439.363356 where: bonds (distance) C4'-P energy: -72.540 bonds (distance) P-C4' energy: -79.500 flat angles C4'-P-C4' energy: -97.626 flat angles P-C4'-P energy: -62.853 tors. eta vs tors. theta energy: -126.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1432.946000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.946000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.946000 (E_RNA) where: Base-Base interactions energy: -1017.570 where: short stacking energy: -444.994 Base-Backbone interact. energy: -0.555 local terms energy: -414.821520 where: bonds (distance) C4'-P energy: -78.045 bonds (distance) P-C4' energy: -69.267 flat angles C4'-P-C4' energy: -88.824 flat angles P-C4'-P energy: -63.132 tors. eta vs tors. theta energy: -115.554 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: 6 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1277.983190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.983190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.983190 (E_RNA) where: Base-Base interactions energy: -867.149 where: short stacking energy: -389.869 Base-Backbone interact. energy: -1.970 local terms energy: -408.864548 where: bonds (distance) C4'-P energy: -74.881 bonds (distance) P-C4' energy: -79.581 flat angles C4'-P-C4' energy: -85.661 flat angles P-C4'-P energy: -53.752 tors. eta vs tors. theta energy: -114.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1221.156960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.156960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.156960 (E_RNA) where: Base-Base interactions energy: -851.332 where: short stacking energy: -359.901 Base-Backbone interact. energy: -3.024 local terms energy: -366.800608 where: bonds (distance) C4'-P energy: -60.579 bonds (distance) P-C4' energy: -66.289 flat angles C4'-P-C4' energy: -84.073 flat angles P-C4'-P energy: -51.890 tors. eta vs tors. theta energy: -103.970 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: 8 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1125.253165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.253165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.253165 (E_RNA) where: Base-Base interactions energy: -775.918 where: short stacking energy: -330.748 Base-Backbone interact. energy: -2.248 local terms energy: -347.087960 where: bonds (distance) C4'-P energy: -49.456 bonds (distance) P-C4' energy: -76.262 flat angles C4'-P-C4' energy: -79.126 flat angles P-C4'-P energy: -54.691 tors. eta vs tors. theta energy: -87.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1054.363451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.363451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.363451 (E_RNA) where: Base-Base interactions energy: -708.094 where: short stacking energy: -315.481 Base-Backbone interact. energy: 0.620 local terms energy: -346.890048 where: bonds (distance) C4'-P energy: -69.543 bonds (distance) P-C4' energy: -73.339 flat angles C4'-P-C4' energy: -81.693 flat angles P-C4'-P energy: -46.133 tors. eta vs tors. theta energy: -76.181 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: 7 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -952.157747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.157747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.157747 (E_RNA) where: Base-Base interactions energy: -644.065 where: short stacking energy: -272.472 Base-Backbone interact. energy: -1.875 local terms energy: -306.217476 where: bonds (distance) C4'-P energy: -66.465 bonds (distance) P-C4' energy: -56.663 flat angles C4'-P-C4' energy: -74.326 flat angles P-C4'-P energy: -45.694 tors. eta vs tors. theta energy: -63.070 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: 5 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -715.597421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.597421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.597421 (E_RNA) where: Base-Base interactions energy: -445.071 where: short stacking energy: -216.926 Base-Backbone interact. energy: -2.801 local terms energy: -267.725023 where: bonds (distance) C4'-P energy: -49.447 bonds (distance) P-C4' energy: -79.145 flat angles C4'-P-C4' energy: -61.908 flat angles P-C4'-P energy: -45.213 tors. eta vs tors. theta energy: -32.013 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: 179 Temperature: 1.300000 Total energy: -523.700508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.700508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.700508 (E_RNA) where: Base-Base interactions energy: -268.567 where: short stacking energy: -135.279 Base-Backbone interact. energy: -1.413 local terms energy: -253.720494 where: bonds (distance) C4'-P energy: -60.031 bonds (distance) P-C4' energy: -67.903 flat angles C4'-P-C4' energy: -70.326 flat angles P-C4'-P energy: -40.073 tors. eta vs tors. theta energy: -15.388 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: 10, replica: 2 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -489.100064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.100064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.100064 (E_RNA) where: Base-Base interactions energy: -266.697 where: short stacking energy: -123.262 Base-Backbone interact. energy: 0.233 local terms energy: -222.636057 where: bonds (distance) C4'-P energy: -64.474 bonds (distance) P-C4' energy: -81.637 flat angles C4'-P-C4' energy: -45.570 flat angles P-C4'-P energy: -40.962 tors. eta vs tors. theta energy: 10.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1450.346066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.346066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.346066 (E_RNA) where: Base-Base interactions energy: -1023.058 where: short stacking energy: -434.951 Base-Backbone interact. energy: 0.827 local terms energy: -428.115339 where: bonds (distance) C4'-P energy: -79.407 bonds (distance) P-C4' energy: -77.981 flat angles C4'-P-C4' energy: -96.076 flat angles P-C4'-P energy: -58.248 tors. eta vs tors. theta energy: -116.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1393.273818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.273818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.273818 (E_RNA) where: Base-Base interactions energy: -951.101 where: short stacking energy: -412.461 Base-Backbone interact. energy: -1.332 local terms energy: -440.840639 where: bonds (distance) C4'-P energy: -76.815 bonds (distance) P-C4' energy: -77.788 flat angles C4'-P-C4' energy: -94.096 flat angles P-C4'-P energy: -66.104 tors. eta vs tors. theta energy: -126.038 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: 6 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1264.059610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.059610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.059610 (E_RNA) where: Base-Base interactions energy: -860.892 where: short stacking energy: -397.087 Base-Backbone interact. energy: -0.907 local terms energy: -402.260335 where: bonds (distance) C4'-P energy: -73.224 bonds (distance) P-C4' energy: -75.208 flat angles C4'-P-C4' energy: -91.432 flat angles P-C4'-P energy: -59.096 tors. eta vs tors. theta energy: -103.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1240.954225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.954225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.954225 (E_RNA) where: Base-Base interactions energy: -867.098 where: short stacking energy: -379.994 Base-Backbone interact. energy: -1.982 local terms energy: -371.874965 where: bonds (distance) C4'-P energy: -72.735 bonds (distance) P-C4' energy: -72.030 flat angles C4'-P-C4' energy: -75.660 flat angles P-C4'-P energy: -45.409 tors. eta vs tors. theta energy: -106.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1098.343897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.343897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.343897 (E_RNA) where: Base-Base interactions energy: -768.273 where: short stacking energy: -325.160 Base-Backbone interact. energy: -3.090 local terms energy: -326.980897 where: bonds (distance) C4'-P energy: -60.695 bonds (distance) P-C4' energy: -72.942 flat angles C4'-P-C4' energy: -74.970 flat angles P-C4'-P energy: -38.739 tors. eta vs tors. theta energy: -79.635 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: 6, replica: 4 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1074.321200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.321200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.321200 (E_RNA) where: Base-Base interactions energy: -692.224 where: short stacking energy: -311.348 Base-Backbone interact. energy: -4.092 local terms energy: -378.004904 where: bonds (distance) C4'-P energy: -76.669 bonds (distance) P-C4' energy: -70.659 flat angles C4'-P-C4' energy: -87.144 flat angles P-C4'-P energy: -54.722 tors. eta vs tors. theta energy: -88.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -977.803494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.803494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.803494 (E_RNA) where: Base-Base interactions energy: -655.094 where: short stacking energy: -273.850 Base-Backbone interact. energy: -0.163 local terms energy: -322.545653 where: bonds (distance) C4'-P energy: -65.031 bonds (distance) P-C4' energy: -78.848 flat angles C4'-P-C4' energy: -80.194 flat angles P-C4'-P energy: -35.276 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: 8, replica: 5 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -738.102043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.102043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.102043 (E_RNA) where: Base-Base interactions energy: -447.616 where: short stacking energy: -223.633 Base-Backbone interact. energy: -1.184 local terms energy: -289.302308 where: bonds (distance) C4'-P energy: -71.472 bonds (distance) P-C4' energy: -78.019 flat angles C4'-P-C4' energy: -53.840 flat angles P-C4'-P energy: -54.591 tors. eta vs tors. theta energy: -31.380 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: 2 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -539.820980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.820980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.820980 (E_RNA) where: Base-Base interactions energy: -294.437 where: short stacking energy: -167.121 Base-Backbone interact. energy: 3.798 local terms energy: -249.181967 where: bonds (distance) C4'-P energy: -55.962 bonds (distance) P-C4' energy: -68.155 flat angles C4'-P-C4' energy: -60.779 flat angles P-C4'-P energy: -41.508 tors. eta vs tors. theta energy: -22.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -532.819303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.819303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.819303 (E_RNA) where: Base-Base interactions energy: -281.071 where: short stacking energy: -154.945 Base-Backbone interact. energy: -2.096 local terms energy: -249.652657 where: bonds (distance) C4'-P energy: -61.876 bonds (distance) P-C4' energy: -67.003 flat angles C4'-P-C4' energy: -73.682 flat angles P-C4'-P energy: -35.866 tors. eta vs tors. theta energy: -11.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1456.061481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.061481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.061481 (E_RNA) where: Base-Base interactions energy: -1030.379 where: short stacking energy: -425.321 Base-Backbone interact. energy: -3.170 local terms energy: -422.512761 where: bonds (distance) C4'-P energy: -82.138 bonds (distance) P-C4' energy: -66.789 flat angles C4'-P-C4' energy: -88.995 flat angles P-C4'-P energy: -66.451 tors. eta vs tors. theta energy: -118.140 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: 2, replica: 9 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1400.431652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.431652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.431652 (E_RNA) where: Base-Base interactions energy: -968.860 where: short stacking energy: -428.585 Base-Backbone interact. energy: -1.126 local terms energy: -430.445850 where: bonds (distance) C4'-P energy: -67.608 bonds (distance) P-C4' energy: -80.047 flat angles C4'-P-C4' energy: -97.684 flat angles P-C4'-P energy: -59.559 tors. eta vs tors. theta energy: -125.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1238.901350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.901350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.901350 (E_RNA) where: Base-Base interactions energy: -846.741 where: short stacking energy: -401.622 Base-Backbone interact. energy: 3.726 local terms energy: -395.887088 where: bonds (distance) C4'-P energy: -74.752 bonds (distance) P-C4' energy: -75.995 flat angles C4'-P-C4' energy: -79.498 flat angles P-C4'-P energy: -50.125 tors. eta vs tors. theta energy: -115.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1232.580429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.580429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.580429 (E_RNA) where: Base-Base interactions energy: -840.634 where: short stacking energy: -346.124 Base-Backbone interact. energy: -1.952 local terms energy: -389.994160 where: bonds (distance) C4'-P energy: -72.251 bonds (distance) P-C4' energy: -77.372 flat angles C4'-P-C4' energy: -85.939 flat angles P-C4'-P energy: -58.683 tors. eta vs tors. theta energy: -95.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1108.539355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.539355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.539355 (E_RNA) where: Base-Base interactions energy: -776.391 where: short stacking energy: -321.589 Base-Backbone interact. energy: -1.742 local terms energy: -330.405854 where: bonds (distance) C4'-P energy: -71.600 bonds (distance) P-C4' energy: -53.847 flat angles C4'-P-C4' energy: -80.631 flat angles P-C4'-P energy: -39.778 tors. eta vs tors. theta energy: -84.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -965.409495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.409495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.409495 (E_RNA) where: Base-Base interactions energy: -658.830 where: short stacking energy: -298.732 Base-Backbone interact. energy: 1.714 local terms energy: -308.293508 where: bonds (distance) C4'-P energy: -59.226 bonds (distance) P-C4' energy: -79.693 flat angles C4'-P-C4' energy: -66.678 flat angles P-C4'-P energy: -34.533 tors. eta vs tors. theta energy: -68.165 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: 7, replica: 4 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1014.468608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.468608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.468608 (E_RNA) where: Base-Base interactions energy: -672.240 where: short stacking energy: -293.587 Base-Backbone interact. energy: -2.400 local terms energy: -339.828875 where: bonds (distance) C4'-P energy: -67.391 bonds (distance) P-C4' energy: -78.184 flat angles C4'-P-C4' energy: -73.635 flat angles P-C4'-P energy: -43.796 tors. eta vs tors. theta energy: -76.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -764.596204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.596204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.596204 (E_RNA) where: Base-Base interactions energy: -467.676 where: short stacking energy: -217.120 Base-Backbone interact. energy: -2.450 local terms energy: -294.470419 where: bonds (distance) C4'-P energy: -65.420 bonds (distance) P-C4' energy: -70.228 flat angles C4'-P-C4' energy: -69.273 flat angles P-C4'-P energy: -36.405 tors. eta vs tors. theta energy: -53.145 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: 2 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -523.386809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.386809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.386809 (E_RNA) where: Base-Base interactions energy: -277.438 where: short stacking energy: -156.919 Base-Backbone interact. energy: -2.751 local terms energy: -243.197837 where: bonds (distance) C4'-P energy: -65.367 bonds (distance) P-C4' energy: -72.959 flat angles C4'-P-C4' energy: -60.138 flat angles P-C4'-P energy: -24.179 tors. eta vs tors. theta energy: -20.555 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: 1 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -505.391642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.391642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.391642 (E_RNA) where: Base-Base interactions energy: -254.403 where: short stacking energy: -152.699 Base-Backbone interact. energy: -0.215 local terms energy: -250.774152 where: bonds (distance) C4'-P energy: -69.385 bonds (distance) P-C4' energy: -81.925 flat angles C4'-P-C4' energy: -52.965 flat angles P-C4'-P energy: -36.165 tors. eta vs tors. theta energy: -10.335 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: 182 Temperature: 0.900000 Total energy: -1401.650385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.650385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.650385 (E_RNA) where: Base-Base interactions energy: -991.626 where: short stacking energy: -412.892 Base-Backbone interact. energy: -0.011 local terms energy: -410.013337 where: bonds (distance) C4'-P energy: -69.012 bonds (distance) P-C4' energy: -71.214 flat angles C4'-P-C4' energy: -91.793 flat angles P-C4'-P energy: -62.622 tors. eta vs tors. theta energy: -115.371 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: 2, replica: 9 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1371.811871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.811871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.811871 (E_RNA) where: Base-Base interactions energy: -946.013 where: short stacking energy: -415.971 Base-Backbone interact. energy: -0.885 local terms energy: -424.913127 where: bonds (distance) C4'-P energy: -81.839 bonds (distance) P-C4' energy: -72.015 flat angles C4'-P-C4' energy: -89.229 flat angles P-C4'-P energy: -62.219 tors. eta vs tors. theta energy: -119.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1275.500816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.500816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.500816 (E_RNA) where: Base-Base interactions energy: -862.274 where: short stacking energy: -400.961 Base-Backbone interact. energy: -0.356 local terms energy: -412.870476 where: bonds (distance) C4'-P energy: -83.367 bonds (distance) P-C4' energy: -70.936 flat angles C4'-P-C4' energy: -81.944 flat angles P-C4'-P energy: -58.466 tors. eta vs tors. theta energy: -118.157 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: 4, replica: 3 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1197.707658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.707658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.707658 (E_RNA) where: Base-Base interactions energy: -839.920 where: short stacking energy: -339.310 Base-Backbone interact. energy: -1.658 local terms energy: -356.129141 where: bonds (distance) C4'-P energy: -67.641 bonds (distance) P-C4' energy: -76.293 flat angles C4'-P-C4' energy: -73.158 flat angles P-C4'-P energy: -49.440 tors. eta vs tors. theta energy: -89.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1107.242031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.242031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.242031 (E_RNA) where: Base-Base interactions energy: -760.047 where: short stacking energy: -318.367 Base-Backbone interact. energy: -1.955 local terms energy: -345.240484 where: bonds (distance) C4'-P energy: -69.317 bonds (distance) P-C4' energy: -76.441 flat angles C4'-P-C4' energy: -74.371 flat angles P-C4'-P energy: -44.168 tors. eta vs tors. theta energy: -80.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1014.333013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.333013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.333013 (E_RNA) where: Base-Base interactions energy: -688.231 where: short stacking energy: -308.393 Base-Backbone interact. energy: -0.664 local terms energy: -325.437680 where: bonds (distance) C4'-P energy: -61.202 bonds (distance) P-C4' energy: -67.881 flat angles C4'-P-C4' energy: -73.530 flat angles P-C4'-P energy: -46.280 tors. eta vs tors. theta energy: -76.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1006.464756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.464756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.464756 (E_RNA) where: Base-Base interactions energy: -677.131 where: short stacking energy: -289.800 Base-Backbone interact. energy: -1.380 local terms energy: -327.954304 where: bonds (distance) C4'-P energy: -46.425 bonds (distance) P-C4' energy: -65.200 flat angles C4'-P-C4' energy: -76.384 flat angles P-C4'-P energy: -63.110 tors. eta vs tors. theta energy: -76.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -776.453325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.453325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.453325 (E_RNA) where: Base-Base interactions energy: -493.151 where: short stacking energy: -229.780 Base-Backbone interact. energy: 0.661 local terms energy: -283.963354 where: bonds (distance) C4'-P energy: -56.813 bonds (distance) P-C4' energy: -69.666 flat angles C4'-P-C4' energy: -71.289 flat angles P-C4'-P energy: -44.660 tors. eta vs tors. theta energy: -41.535 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: 2 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -533.385995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.385995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.385995 (E_RNA) where: Base-Base interactions energy: -299.375 where: short stacking energy: -178.344 Base-Backbone interact. energy: -0.256 local terms energy: -233.755719 where: bonds (distance) C4'-P energy: -63.552 bonds (distance) P-C4' energy: -61.159 flat angles C4'-P-C4' energy: -49.170 flat angles P-C4'-P energy: -42.208 tors. eta vs tors. theta energy: -17.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -452.805628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.805628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.805628 (E_RNA) where: Base-Base interactions energy: -239.341 where: short stacking energy: -121.833 Base-Backbone interact. energy: -1.649 local terms energy: -211.815700 where: bonds (distance) C4'-P energy: -57.041 bonds (distance) P-C4' energy: -61.140 flat angles C4'-P-C4' energy: -66.856 flat angles P-C4'-P energy: -30.872 tors. eta vs tors. theta energy: 4.094 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: 1, replica: 10 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1415.427426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.427426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.427426 (E_RNA) where: Base-Base interactions energy: -1004.921 where: short stacking energy: -413.022 Base-Backbone interact. energy: -2.814 local terms energy: -407.692331 where: bonds (distance) C4'-P energy: -64.701 bonds (distance) P-C4' energy: -78.076 flat angles C4'-P-C4' energy: -86.055 flat angles P-C4'-P energy: -60.921 tors. eta vs tors. theta energy: -117.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1381.654546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.654546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.654546 (E_RNA) where: Base-Base interactions energy: -956.452 where: short stacking energy: -421.803 Base-Backbone interact. energy: -0.859 local terms energy: -424.343386 where: bonds (distance) C4'-P energy: -85.377 bonds (distance) P-C4' energy: -78.663 flat angles C4'-P-C4' energy: -82.282 flat angles P-C4'-P energy: -52.432 tors. eta vs tors. theta energy: -125.589 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: 3, replica: 6 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1256.407093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.407093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.407093 (E_RNA) where: Base-Base interactions energy: -839.086 where: short stacking energy: -374.342 Base-Backbone interact. energy: -3.066 local terms energy: -414.255157 where: bonds (distance) C4'-P energy: -77.623 bonds (distance) P-C4' energy: -82.375 flat angles C4'-P-C4' energy: -87.903 flat angles P-C4'-P energy: -61.260 tors. eta vs tors. theta energy: -105.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1222.255913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.255913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.255913 (E_RNA) where: Base-Base interactions energy: -865.164 where: short stacking energy: -347.788 Base-Backbone interact. energy: -2.131 local terms energy: -354.961595 where: bonds (distance) C4'-P energy: -63.246 bonds (distance) P-C4' energy: -71.391 flat angles C4'-P-C4' energy: -70.985 flat angles P-C4'-P energy: -65.320 tors. eta vs tors. theta energy: -84.020 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: 5, replica: 8 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1124.199139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.199139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.199139 (E_RNA) where: Base-Base interactions energy: -778.522 where: short stacking energy: -342.821 Base-Backbone interact. energy: 1.464 local terms energy: -347.141807 where: bonds (distance) C4'-P energy: -65.445 bonds (distance) P-C4' energy: -63.954 flat angles C4'-P-C4' energy: -76.297 flat angles P-C4'-P energy: -46.350 tors. eta vs tors. theta energy: -95.097 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: 4 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1074.465011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.465011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.465011 (E_RNA) where: Base-Base interactions energy: -724.710 where: short stacking energy: -300.649 Base-Backbone interact. energy: 3.592 local terms energy: -353.347531 where: bonds (distance) C4'-P energy: -73.803 bonds (distance) P-C4' energy: -85.340 flat angles C4'-P-C4' energy: -80.130 flat angles P-C4'-P energy: -44.647 tors. eta vs tors. theta energy: -69.426 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: 7, replica: 7 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -970.049784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.049784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.049784 (E_RNA) where: Base-Base interactions energy: -651.792 where: short stacking energy: -286.432 Base-Backbone interact. energy: -2.004 local terms energy: -316.253122 where: bonds (distance) C4'-P energy: -70.939 bonds (distance) P-C4' energy: -75.593 flat angles C4'-P-C4' energy: -68.228 flat angles P-C4'-P energy: -36.087 tors. eta vs tors. theta energy: -65.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -760.889258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.889258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.889258 (E_RNA) where: Base-Base interactions energy: -477.367 where: short stacking energy: -214.283 Base-Backbone interact. energy: -0.160 local terms energy: -283.362662 where: bonds (distance) C4'-P energy: -76.141 bonds (distance) P-C4' energy: -56.836 flat angles C4'-P-C4' energy: -66.599 flat angles P-C4'-P energy: -45.317 tors. eta vs tors. theta energy: -38.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -486.648113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.648113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.648113 (E_RNA) where: Base-Base interactions energy: -247.885 where: short stacking energy: -146.245 Base-Backbone interact. energy: -1.587 local terms energy: -237.176185 where: bonds (distance) C4'-P energy: -68.703 bonds (distance) P-C4' energy: -78.909 flat angles C4'-P-C4' energy: -57.541 flat angles P-C4'-P energy: -42.140 tors. eta vs tors. theta energy: 10.117 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: 1 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -431.009620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.009620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.009620 (E_RNA) where: Base-Base interactions energy: -188.897 where: short stacking energy: -127.533 Base-Backbone interact. energy: 0.004 local terms energy: -242.116771 where: bonds (distance) C4'-P energy: -69.363 bonds (distance) P-C4' energy: -79.641 flat angles C4'-P-C4' energy: -56.385 flat angles P-C4'-P energy: -30.799 tors. eta vs tors. theta energy: -5.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1422.980556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.980556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.980556 (E_RNA) where: Base-Base interactions energy: -987.239 where: short stacking energy: -438.018 Base-Backbone interact. energy: 0.579 local terms energy: -436.320662 where: bonds (distance) C4'-P energy: -76.598 bonds (distance) P-C4' energy: -75.707 flat angles C4'-P-C4' energy: -93.279 flat angles P-C4'-P energy: -61.467 tors. eta vs tors. theta energy: -129.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1393.343382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.343382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.343382 (E_RNA) where: Base-Base interactions energy: -971.411 where: short stacking energy: -394.276 Base-Backbone interact. energy: -3.692 local terms energy: -418.240746 where: bonds (distance) C4'-P energy: -70.995 bonds (distance) P-C4' energy: -81.239 flat angles C4'-P-C4' energy: -91.780 flat angles P-C4'-P energy: -62.243 tors. eta vs tors. theta energy: -111.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1272.788544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.788544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.788544 (E_RNA) where: Base-Base interactions energy: -858.380 where: short stacking energy: -385.078 Base-Backbone interact. energy: -1.558 local terms energy: -412.850727 where: bonds (distance) C4'-P energy: -76.823 bonds (distance) P-C4' energy: -78.292 flat angles C4'-P-C4' energy: -91.679 flat angles P-C4'-P energy: -55.642 tors. eta vs tors. theta energy: -110.414 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: 3 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1250.976126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.976126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.976126 (E_RNA) where: Base-Base interactions energy: -856.261 where: short stacking energy: -353.390 Base-Backbone interact. energy: -0.972 local terms energy: -393.743164 where: bonds (distance) C4'-P energy: -74.674 bonds (distance) P-C4' energy: -83.525 flat angles C4'-P-C4' energy: -76.638 flat angles P-C4'-P energy: -57.241 tors. eta vs tors. theta energy: -101.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1150.850229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.850229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.850229 (E_RNA) where: Base-Base interactions energy: -781.913 where: short stacking energy: -346.168 Base-Backbone interact. energy: -1.452 local terms energy: -367.485509 where: bonds (distance) C4'-P energy: -65.483 bonds (distance) P-C4' energy: -72.907 flat angles C4'-P-C4' energy: -87.897 flat angles P-C4'-P energy: -47.242 tors. eta vs tors. theta energy: -93.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1120.536690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.536690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.536690 (E_RNA) where: Base-Base interactions energy: -785.783 where: short stacking energy: -331.276 Base-Backbone interact. energy: -3.999 local terms energy: -330.754676 where: bonds (distance) C4'-P energy: -49.451 bonds (distance) P-C4' energy: -69.151 flat angles C4'-P-C4' energy: -75.942 flat angles P-C4'-P energy: -50.339 tors. eta vs tors. theta energy: -85.872 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: 7 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -955.817121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.817121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.817121 (E_RNA) where: Base-Base interactions energy: -637.152 where: short stacking energy: -277.875 Base-Backbone interact. energy: 2.443 local terms energy: -321.108707 where: bonds (distance) C4'-P energy: -58.402 bonds (distance) P-C4' energy: -79.557 flat angles C4'-P-C4' energy: -75.738 flat angles P-C4'-P energy: -37.681 tors. eta vs tors. theta energy: -69.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -770.606101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.606101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.606101 (E_RNA) where: Base-Base interactions energy: -477.795 where: short stacking energy: -221.171 Base-Backbone interact. energy: 0.239 local terms energy: -293.049452 where: bonds (distance) C4'-P energy: -75.532 bonds (distance) P-C4' energy: -68.006 flat angles C4'-P-C4' energy: -58.609 flat angles P-C4'-P energy: -46.931 tors. eta vs tors. theta energy: -43.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -523.675588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.675588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.675588 (E_RNA) where: Base-Base interactions energy: -264.176 where: short stacking energy: -166.430 Base-Backbone interact. energy: 1.721 local terms energy: -261.220838 where: bonds (distance) C4'-P energy: -68.975 bonds (distance) P-C4' energy: -74.506 flat angles C4'-P-C4' energy: -60.863 flat angles P-C4'-P energy: -38.910 tors. eta vs tors. theta energy: -17.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -397.915655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.915655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.915655 (E_RNA) where: Base-Base interactions energy: -195.832 where: short stacking energy: -118.226 Base-Backbone interact. energy: -2.354 local terms energy: -199.729731 where: bonds (distance) C4'-P energy: -54.093 bonds (distance) P-C4' energy: -64.984 flat angles C4'-P-C4' energy: -59.901 flat angles P-C4'-P energy: -22.226 tors. eta vs tors. theta energy: 1.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1412.474842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.474842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.474842 (E_RNA) where: Base-Base interactions energy: -978.043 where: short stacking energy: -449.195 Base-Backbone interact. energy: -0.376 local terms energy: -434.055079 where: bonds (distance) C4'-P energy: -73.548 bonds (distance) P-C4' energy: -80.339 flat angles C4'-P-C4' energy: -90.836 flat angles P-C4'-P energy: -61.712 tors. eta vs tors. theta energy: -127.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1390.674486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.674486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.674486 (E_RNA) where: Base-Base interactions energy: -968.114 where: short stacking energy: -397.425 Base-Backbone interact. energy: 0.279 local terms energy: -422.839305 where: bonds (distance) C4'-P energy: -85.168 bonds (distance) P-C4' energy: -77.595 flat angles C4'-P-C4' energy: -92.730 flat angles P-C4'-P energy: -53.613 tors. eta vs tors. theta energy: -113.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1284.066029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.066029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.066029 (E_RNA) where: Base-Base interactions energy: -870.459 where: short stacking energy: -401.294 Base-Backbone interact. energy: 0.140 local terms energy: -413.746601 where: bonds (distance) C4'-P energy: -59.911 bonds (distance) P-C4' energy: -76.798 flat angles C4'-P-C4' energy: -96.086 flat angles P-C4'-P energy: -55.290 tors. eta vs tors. theta energy: -125.662 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: 3 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1253.435599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.435599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.435599 (E_RNA) where: Base-Base interactions energy: -858.003 where: short stacking energy: -347.092 Base-Backbone interact. energy: -2.215 local terms energy: -393.217337 where: bonds (distance) C4'-P energy: -76.885 bonds (distance) P-C4' energy: -82.088 flat angles C4'-P-C4' energy: -75.059 flat angles P-C4'-P energy: -52.974 tors. eta vs tors. theta energy: -106.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1148.071733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.071733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.071733 (E_RNA) where: Base-Base interactions energy: -779.788 where: short stacking energy: -337.543 Base-Backbone interact. energy: -3.125 local terms energy: -365.158443 where: bonds (distance) C4'-P energy: -62.729 bonds (distance) P-C4' energy: -69.012 flat angles C4'-P-C4' energy: -83.706 flat angles P-C4'-P energy: -49.175 tors. eta vs tors. theta energy: -100.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1119.169978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.169978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.169978 (E_RNA) where: Base-Base interactions energy: -770.517 where: short stacking energy: -324.333 Base-Backbone interact. energy: -1.759 local terms energy: -346.894020 where: bonds (distance) C4'-P energy: -71.904 bonds (distance) P-C4' energy: -66.207 flat angles C4'-P-C4' energy: -80.491 flat angles P-C4'-P energy: -40.056 tors. eta vs tors. theta energy: -88.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -906.174020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.174020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.174020 (E_RNA) where: Base-Base interactions energy: -611.218 where: short stacking energy: -264.771 Base-Backbone interact. energy: -1.574 local terms energy: -293.381934 where: bonds (distance) C4'-P energy: -60.044 bonds (distance) P-C4' energy: -63.291 flat angles C4'-P-C4' energy: -68.515 flat angles P-C4'-P energy: -43.084 tors. eta vs tors. theta energy: -58.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -788.396312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.396312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.396312 (E_RNA) where: Base-Base interactions energy: -503.525 where: short stacking energy: -201.683 Base-Backbone interact. energy: 0.943 local terms energy: -285.813904 where: bonds (distance) C4'-P energy: -66.417 bonds (distance) P-C4' energy: -76.137 flat angles C4'-P-C4' energy: -70.849 flat angles P-C4'-P energy: -36.412 tors. eta vs tors. theta energy: -35.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -477.880615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.880615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.880615 (E_RNA) where: Base-Base interactions energy: -272.522 where: short stacking energy: -166.349 Base-Backbone interact. energy: -0.884 local terms energy: -204.474178 where: bonds (distance) C4'-P energy: -44.438 bonds (distance) P-C4' energy: -70.509 flat angles C4'-P-C4' energy: -45.975 flat angles P-C4'-P energy: -38.241 tors. eta vs tors. theta energy: -5.312 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: 185 Temperature: 1.350000 Total energy: -389.737963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.737963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.737963 (E_RNA) where: Base-Base interactions energy: -173.953 where: short stacking energy: -106.049 Base-Backbone interact. energy: -1.488 local terms energy: -214.297181 where: bonds (distance) C4'-P energy: -54.307 bonds (distance) P-C4' energy: -67.835 flat angles C4'-P-C4' energy: -59.267 flat angles P-C4'-P energy: -42.366 tors. eta vs tors. theta energy: 9.477 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: 9 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1419.471239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.471239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.471239 (E_RNA) where: Base-Base interactions energy: -992.345 where: short stacking energy: -427.620 Base-Backbone interact. energy: -1.856 local terms energy: -425.269919 where: bonds (distance) C4'-P energy: -82.187 bonds (distance) P-C4' energy: -81.465 flat angles C4'-P-C4' energy: -77.975 flat angles P-C4'-P energy: -61.457 tors. eta vs tors. theta energy: -122.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1380.681944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.681944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.681944 (E_RNA) where: Base-Base interactions energy: -986.714 where: short stacking energy: -399.736 Base-Backbone interact. energy: -0.819 local terms energy: -393.148717 where: bonds (distance) C4'-P energy: -63.416 bonds (distance) P-C4' energy: -84.024 flat angles C4'-P-C4' energy: -86.063 flat angles P-C4'-P energy: -49.042 tors. eta vs tors. theta energy: -110.603 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: 6 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1296.396191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.396191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.396191 (E_RNA) where: Base-Base interactions energy: -903.942 where: short stacking energy: -412.959 Base-Backbone interact. energy: 0.046 local terms energy: -392.499997 where: bonds (distance) C4'-P energy: -59.027 bonds (distance) P-C4' energy: -69.994 flat angles C4'-P-C4' energy: -84.596 flat angles P-C4'-P energy: -65.948 tors. eta vs tors. theta energy: -112.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1276.188221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.188221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.188221 (E_RNA) where: Base-Base interactions energy: -879.447 where: short stacking energy: -352.519 Base-Backbone interact. energy: -1.146 local terms energy: -395.594686 where: bonds (distance) C4'-P energy: -56.585 bonds (distance) P-C4' energy: -79.016 flat angles C4'-P-C4' energy: -92.688 flat angles P-C4'-P energy: -58.026 tors. eta vs tors. theta energy: -109.280 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: 8 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1158.714459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.714459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.714459 (E_RNA) where: Base-Base interactions energy: -803.282 where: short stacking energy: -322.707 Base-Backbone interact. energy: -2.297 local terms energy: -353.135392 where: bonds (distance) C4'-P energy: -69.759 bonds (distance) P-C4' energy: -67.777 flat angles C4'-P-C4' energy: -78.410 flat angles P-C4'-P energy: -49.729 tors. eta vs tors. theta energy: -87.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1080.711738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.711738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.711738 (E_RNA) where: Base-Base interactions energy: -737.725 where: short stacking energy: -320.894 Base-Backbone interact. energy: -2.269 local terms energy: -340.717141 where: bonds (distance) C4'-P energy: -70.602 bonds (distance) P-C4' energy: -66.786 flat angles C4'-P-C4' energy: -79.929 flat angles P-C4'-P energy: -36.383 tors. eta vs tors. theta energy: -87.017 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: 7 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -886.487757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.487757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.487757 (E_RNA) where: Base-Base interactions energy: -566.900 where: short stacking energy: -263.828 Base-Backbone interact. energy: -0.561 local terms energy: -319.026524 where: bonds (distance) C4'-P energy: -63.438 bonds (distance) P-C4' energy: -80.477 flat angles C4'-P-C4' energy: -71.118 flat angles P-C4'-P energy: -46.249 tors. eta vs tors. theta energy: -57.746 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: 5 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -797.157526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.157526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.157526 (E_RNA) where: Base-Base interactions energy: -530.834 where: short stacking energy: -231.743 Base-Backbone interact. energy: 4.329 local terms energy: -270.652629 where: bonds (distance) C4'-P energy: -59.654 bonds (distance) P-C4' energy: -67.225 flat angles C4'-P-C4' energy: -67.037 flat angles P-C4'-P energy: -40.248 tors. eta vs tors. theta energy: -36.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -474.177061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.177061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.177061 (E_RNA) where: Base-Base interactions energy: -250.752 where: short stacking energy: -137.650 Base-Backbone interact. energy: 0.111 local terms energy: -223.535473 where: bonds (distance) C4'-P energy: -62.914 bonds (distance) P-C4' energy: -53.021 flat angles C4'-P-C4' energy: -77.882 flat angles P-C4'-P energy: -33.910 tors. eta vs tors. theta energy: 4.191 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: 186 Temperature: 1.350000 Total energy: -471.256840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.256840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.256840 (E_RNA) where: Base-Base interactions energy: -224.932 where: short stacking energy: -118.845 Base-Backbone interact. energy: 0.276 local terms energy: -246.600798 where: bonds (distance) C4'-P energy: -73.773 bonds (distance) P-C4' energy: -63.921 flat angles C4'-P-C4' energy: -70.723 flat angles P-C4'-P energy: -35.002 tors. eta vs tors. theta energy: -3.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1394.324514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.324514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.324514 (E_RNA) where: Base-Base interactions energy: -951.733 where: short stacking energy: -431.149 Base-Backbone interact. energy: -3.201 local terms energy: -439.390211 where: bonds (distance) C4'-P energy: -75.382 bonds (distance) P-C4' energy: -83.489 flat angles C4'-P-C4' energy: -89.875 flat angles P-C4'-P energy: -63.984 tors. eta vs tors. theta energy: -126.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1383.343235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.343235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.343235 (E_RNA) where: Base-Base interactions energy: -939.607 where: short stacking energy: -403.598 Base-Backbone interact. energy: -1.486 local terms energy: -442.249918 where: bonds (distance) C4'-P energy: -77.399 bonds (distance) P-C4' energy: -88.743 flat angles C4'-P-C4' energy: -95.114 flat angles P-C4'-P energy: -62.119 tors. eta vs tors. theta energy: -118.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1257.369718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.369718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.369718 (E_RNA) where: Base-Base interactions energy: -842.451 where: short stacking energy: -394.628 Base-Backbone interact. energy: 0.765 local terms energy: -415.684656 where: bonds (distance) C4'-P energy: -70.787 bonds (distance) P-C4' energy: -74.179 flat angles C4'-P-C4' energy: -98.131 flat angles P-C4'-P energy: -57.672 tors. eta vs tors. theta energy: -114.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1275.178532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.178532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.178532 (E_RNA) where: Base-Base interactions energy: -910.973 where: short stacking energy: -379.022 Base-Backbone interact. energy: 0.494 local terms energy: -364.699907 where: bonds (distance) C4'-P energy: -62.801 bonds (distance) P-C4' energy: -65.006 flat angles C4'-P-C4' energy: -80.211 flat angles P-C4'-P energy: -52.558 tors. eta vs tors. theta energy: -104.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1165.011830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.011830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.011830 (E_RNA) where: Base-Base interactions energy: -804.348 where: short stacking energy: -325.786 Base-Backbone interact. energy: -2.646 local terms energy: -358.017723 where: bonds (distance) C4'-P energy: -63.650 bonds (distance) P-C4' energy: -82.933 flat angles C4'-P-C4' energy: -71.429 flat angles P-C4'-P energy: -53.277 tors. eta vs tors. theta energy: -86.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1060.589808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.589808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.589808 (E_RNA) where: Base-Base interactions energy: -712.202 where: short stacking energy: -330.564 Base-Backbone interact. energy: -2.065 local terms energy: -346.322610 where: bonds (distance) C4'-P energy: -67.151 bonds (distance) P-C4' energy: -74.200 flat angles C4'-P-C4' energy: -75.821 flat angles P-C4'-P energy: -46.260 tors. eta vs tors. theta energy: -82.890 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: 7 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -880.763888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.763888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.763888 (E_RNA) where: Base-Base interactions energy: -571.824 where: short stacking energy: -246.182 Base-Backbone interact. energy: -3.092 local terms energy: -305.847886 where: bonds (distance) C4'-P energy: -65.505 bonds (distance) P-C4' energy: -79.450 flat angles C4'-P-C4' energy: -61.246 flat angles P-C4'-P energy: -47.965 tors. eta vs tors. theta energy: -51.683 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: 5 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -786.464749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.464749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.464749 (E_RNA) where: Base-Base interactions energy: -500.592 where: short stacking energy: -210.130 Base-Backbone interact. energy: 0.062 local terms energy: -285.935025 where: bonds (distance) C4'-P energy: -65.192 bonds (distance) P-C4' energy: -64.396 flat angles C4'-P-C4' energy: -68.140 flat angles P-C4'-P energy: -42.826 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: 9, replica: 2 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -481.759528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.759528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.759528 (E_RNA) where: Base-Base interactions energy: -239.556 where: short stacking energy: -132.884 Base-Backbone interact. energy: -1.275 local terms energy: -240.928678 where: bonds (distance) C4'-P energy: -69.875 bonds (distance) P-C4' energy: -67.529 flat angles C4'-P-C4' energy: -51.016 flat angles P-C4'-P energy: -41.793 tors. eta vs tors. theta energy: -10.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -480.025706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.025706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.025706 (E_RNA) where: Base-Base interactions energy: -264.607 where: short stacking energy: -139.017 Base-Backbone interact. energy: 8.812 local terms energy: -224.231347 where: bonds (distance) C4'-P energy: -63.331 bonds (distance) P-C4' energy: -68.910 flat angles C4'-P-C4' energy: -49.946 flat angles P-C4'-P energy: -38.143 tors. eta vs tors. theta energy: -3.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1427.055455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.055455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.055455 (E_RNA) where: Base-Base interactions energy: -988.620 where: short stacking energy: -440.060 Base-Backbone interact. energy: -0.026 local terms energy: -438.409560 where: bonds (distance) C4'-P energy: -69.824 bonds (distance) P-C4' energy: -89.317 flat angles C4'-P-C4' energy: -89.133 flat angles P-C4'-P energy: -60.642 tors. eta vs tors. theta energy: -129.493 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: 10 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1390.830057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.830057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.830057 (E_RNA) where: Base-Base interactions energy: -971.884 where: short stacking energy: -404.819 Base-Backbone interact. energy: -2.284 local terms energy: -416.662304 where: bonds (distance) C4'-P energy: -74.872 bonds (distance) P-C4' energy: -76.626 flat angles C4'-P-C4' energy: -85.898 flat angles P-C4'-P energy: -57.886 tors. eta vs tors. theta energy: -121.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1318.743869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.743869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.743869 (E_RNA) where: Base-Base interactions energy: -903.695 where: short stacking energy: -362.810 Base-Backbone interact. energy: -0.249 local terms energy: -414.799297 where: bonds (distance) C4'-P energy: -82.593 bonds (distance) P-C4' energy: -70.210 flat angles C4'-P-C4' energy: -91.263 flat angles P-C4'-P energy: -60.549 tors. eta vs tors. theta energy: -110.185 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: 4, replica: 6 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1217.546419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.546419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.546419 (E_RNA) where: Base-Base interactions energy: -835.983 where: short stacking energy: -362.084 Base-Backbone interact. energy: -0.967 local terms energy: -380.596142 where: bonds (distance) C4'-P energy: -69.749 bonds (distance) P-C4' energy: -71.408 flat angles C4'-P-C4' energy: -80.854 flat angles P-C4'-P energy: -56.826 tors. eta vs tors. theta energy: -101.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1155.960458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.960458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.960458 (E_RNA) where: Base-Base interactions energy: -799.478 where: short stacking energy: -332.694 Base-Backbone interact. energy: -0.555 local terms energy: -355.927543 where: bonds (distance) C4'-P energy: -79.257 bonds (distance) P-C4' energy: -62.414 flat angles C4'-P-C4' energy: -71.758 flat angles P-C4'-P energy: -48.180 tors. eta vs tors. theta energy: -94.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1042.858887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.858887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.858887 (E_RNA) where: Base-Base interactions energy: -707.545 where: short stacking energy: -298.430 Base-Backbone interact. energy: 0.995 local terms energy: -336.309430 where: bonds (distance) C4'-P energy: -74.148 bonds (distance) P-C4' energy: -73.153 flat angles C4'-P-C4' energy: -66.631 flat angles P-C4'-P energy: -52.131 tors. eta vs tors. theta energy: -70.247 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: 7, replica: 7 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -862.712756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.712756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.712756 (E_RNA) where: Base-Base interactions energy: -574.086 where: short stacking energy: -256.082 Base-Backbone interact. energy: -1.318 local terms energy: -287.308355 where: bonds (distance) C4'-P energy: -63.838 bonds (distance) P-C4' energy: -63.319 flat angles C4'-P-C4' energy: -67.103 flat angles P-C4'-P energy: -42.667 tors. eta vs tors. theta energy: -50.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -787.357396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.357396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.357396 (E_RNA) where: Base-Base interactions energy: -514.990 where: short stacking energy: -258.435 Base-Backbone interact. energy: 1.120 local terms energy: -273.486788 where: bonds (distance) C4'-P energy: -50.843 bonds (distance) P-C4' energy: -60.048 flat angles C4'-P-C4' energy: -71.050 flat angles P-C4'-P energy: -35.121 tors. eta vs tors. theta energy: -56.425 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: 9, replica: 1 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -512.530275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.530275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.530275 (E_RNA) where: Base-Base interactions energy: -268.003 where: short stacking energy: -159.354 Base-Backbone interact. energy: -0.375 local terms energy: -244.152344 where: bonds (distance) C4'-P energy: -80.249 bonds (distance) P-C4' energy: -67.986 flat angles C4'-P-C4' energy: -56.783 flat angles P-C4'-P energy: -27.372 tors. eta vs tors. theta energy: -11.763 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: 10, replica: 2 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -447.414238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.414238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.414238 (E_RNA) where: Base-Base interactions energy: -215.619 where: short stacking energy: -129.614 Base-Backbone interact. energy: 0.487 local terms energy: -232.283044 where: bonds (distance) C4'-P energy: -74.642 bonds (distance) P-C4' energy: -62.164 flat angles C4'-P-C4' energy: -62.074 flat angles P-C4'-P energy: -37.573 tors. eta vs tors. theta energy: 4.171 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: 9 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1397.730541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.730541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.730541 (E_RNA) where: Base-Base interactions energy: -969.288 where: short stacking energy: -417.270 Base-Backbone interact. energy: -2.680 local terms energy: -425.762643 where: bonds (distance) C4'-P energy: -73.367 bonds (distance) P-C4' energy: -71.933 flat angles C4'-P-C4' energy: -86.652 flat angles P-C4'-P energy: -67.065 tors. eta vs tors. theta energy: -126.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1340.072799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.072799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.072799 (E_RNA) where: Base-Base interactions energy: -931.528 where: short stacking energy: -386.320 Base-Backbone interact. energy: -2.161 local terms energy: -406.383856 where: bonds (distance) C4'-P energy: -71.359 bonds (distance) P-C4' energy: -77.620 flat angles C4'-P-C4' energy: -91.617 flat angles P-C4'-P energy: -56.921 tors. eta vs tors. theta energy: -108.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1344.611163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.611163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.611163 (E_RNA) where: Base-Base interactions energy: -937.147 where: short stacking energy: -390.352 Base-Backbone interact. energy: -1.189 local terms energy: -406.275263 where: bonds (distance) C4'-P energy: -66.724 bonds (distance) P-C4' energy: -71.683 flat angles C4'-P-C4' energy: -81.940 flat angles P-C4'-P energy: -66.159 tors. eta vs tors. theta energy: -119.770 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: 6 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1205.639683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.639683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.639683 (E_RNA) where: Base-Base interactions energy: -834.656 where: short stacking energy: -373.496 Base-Backbone interact. energy: -0.677 local terms energy: -370.307186 where: bonds (distance) C4'-P energy: -58.114 bonds (distance) P-C4' energy: -75.615 flat angles C4'-P-C4' energy: -90.105 flat angles P-C4'-P energy: -48.781 tors. eta vs tors. theta energy: -97.691 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: 8 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1186.080974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.080974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.080974 (E_RNA) where: Base-Base interactions energy: -826.301 where: short stacking energy: -360.584 Base-Backbone interact. energy: -2.618 local terms energy: -357.162374 where: bonds (distance) C4'-P energy: -66.357 bonds (distance) P-C4' energy: -73.186 flat angles C4'-P-C4' energy: -77.497 flat angles P-C4'-P energy: -41.512 tors. eta vs tors. theta energy: -98.610 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: 4 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1106.146736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.146736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.146736 (E_RNA) where: Base-Base interactions energy: -754.959 where: short stacking energy: -314.317 Base-Backbone interact. energy: -0.278 local terms energy: -350.910145 where: bonds (distance) C4'-P energy: -67.535 bonds (distance) P-C4' energy: -65.960 flat angles C4'-P-C4' energy: -71.934 flat angles P-C4'-P energy: -49.533 tors. eta vs tors. theta energy: -95.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -955.395969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.395969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.395969 (E_RNA) where: Base-Base interactions energy: -626.934 where: short stacking energy: -289.934 Base-Backbone interact. energy: 5.867 local terms energy: -334.328736 where: bonds (distance) C4'-P energy: -72.805 bonds (distance) P-C4' energy: -73.351 flat angles C4'-P-C4' energy: -78.413 flat angles P-C4'-P energy: -33.784 tors. eta vs tors. theta energy: -75.974 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: 5 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -793.377249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.377249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.377249 (E_RNA) where: Base-Base interactions energy: -489.189 where: short stacking energy: -235.048 Base-Backbone interact. energy: -2.464 local terms energy: -301.723931 where: bonds (distance) C4'-P energy: -68.360 bonds (distance) P-C4' energy: -59.392 flat angles C4'-P-C4' energy: -75.657 flat angles P-C4'-P energy: -43.056 tors. eta vs tors. theta energy: -55.260 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: 189 Temperature: 1.300000 Total energy: -541.676866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.676866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.676866 (E_RNA) where: Base-Base interactions energy: -297.185 where: short stacking energy: -201.824 Base-Backbone interact. energy: 1.891 local terms energy: -246.382958 where: bonds (distance) C4'-P energy: -60.766 bonds (distance) P-C4' energy: -64.133 flat angles C4'-P-C4' energy: -57.626 flat angles P-C4'-P energy: -39.000 tors. eta vs tors. theta energy: -24.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -473.124845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.124845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.124845 (E_RNA) where: Base-Base interactions energy: -235.668 where: short stacking energy: -130.727 Base-Backbone interact. energy: -1.937 local terms energy: -235.520095 where: bonds (distance) C4'-P energy: -70.529 bonds (distance) P-C4' energy: -67.115 flat angles C4'-P-C4' energy: -55.541 flat angles P-C4'-P energy: -32.772 tors. eta vs tors. theta energy: -9.563 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: 1, replica: 9 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1396.387513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.387513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.387513 (E_RNA) where: Base-Base interactions energy: -958.739 where: short stacking energy: -410.156 Base-Backbone interact. energy: -1.726 local terms energy: -435.922554 where: bonds (distance) C4'-P energy: -77.739 bonds (distance) P-C4' energy: -83.698 flat angles C4'-P-C4' energy: -91.365 flat angles P-C4'-P energy: -59.157 tors. eta vs tors. theta energy: -123.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1336.567940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.567940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.567940 (E_RNA) where: Base-Base interactions energy: -924.000 where: short stacking energy: -378.444 Base-Backbone interact. energy: -1.643 local terms energy: -410.924846 where: bonds (distance) C4'-P energy: -89.778 bonds (distance) P-C4' energy: -74.871 flat angles C4'-P-C4' energy: -78.872 flat angles P-C4'-P energy: -59.696 tors. eta vs tors. theta energy: -107.708 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: 10 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1328.123058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.123058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.123058 (E_RNA) where: Base-Base interactions energy: -929.869 where: short stacking energy: -400.275 Base-Backbone interact. energy: 3.948 local terms energy: -402.202141 where: bonds (distance) C4'-P energy: -74.739 bonds (distance) P-C4' energy: -81.536 flat angles C4'-P-C4' energy: -80.533 flat angles P-C4'-P energy: -45.743 tors. eta vs tors. theta energy: -119.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1222.618802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.618802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.618802 (E_RNA) where: Base-Base interactions energy: -826.015 where: short stacking energy: -372.535 Base-Backbone interact. energy: -1.636 local terms energy: -394.968576 where: bonds (distance) C4'-P energy: -73.553 bonds (distance) P-C4' energy: -72.265 flat angles C4'-P-C4' energy: -84.439 flat angles P-C4'-P energy: -56.184 tors. eta vs tors. theta energy: -108.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1152.220877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.220877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.220877 (E_RNA) where: Base-Base interactions energy: -790.412 where: short stacking energy: -327.851 Base-Backbone interact. energy: -1.055 local terms energy: -360.754080 where: bonds (distance) C4'-P energy: -61.091 bonds (distance) P-C4' energy: -70.480 flat angles C4'-P-C4' energy: -79.011 flat angles P-C4'-P energy: -49.747 tors. eta vs tors. theta energy: -100.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1070.423970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.423970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.423970 (E_RNA) where: Base-Base interactions energy: -731.621 where: short stacking energy: -316.186 Base-Backbone interact. energy: -1.593 local terms energy: -337.210530 where: bonds (distance) C4'-P energy: -83.361 bonds (distance) P-C4' energy: -54.054 flat angles C4'-P-C4' energy: -73.122 flat angles P-C4'-P energy: -54.582 tors. eta vs tors. theta energy: -72.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -909.975116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.975116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.975116 (E_RNA) where: Base-Base interactions energy: -597.513 where: short stacking energy: -264.586 Base-Backbone interact. energy: -0.950 local terms energy: -311.511845 where: bonds (distance) C4'-P energy: -59.215 bonds (distance) P-C4' energy: -75.896 flat angles C4'-P-C4' energy: -65.456 flat angles P-C4'-P energy: -48.372 tors. eta vs tors. theta energy: -62.573 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: 5 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -754.062337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.062337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.062337 (E_RNA) where: Base-Base interactions energy: -469.307 where: short stacking energy: -204.091 Base-Backbone interact. energy: -3.623 local terms energy: -281.132583 where: bonds (distance) C4'-P energy: -65.143 bonds (distance) P-C4' energy: -65.078 flat angles C4'-P-C4' energy: -69.498 flat angles P-C4'-P energy: -50.575 tors. eta vs tors. theta energy: -30.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -486.083696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.083696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.083696 (E_RNA) where: Base-Base interactions energy: -253.115 where: short stacking energy: -136.076 Base-Backbone interact. energy: -1.134 local terms energy: -231.834595 where: bonds (distance) C4'-P energy: -81.272 bonds (distance) P-C4' energy: -67.448 flat angles C4'-P-C4' energy: -47.222 flat angles P-C4'-P energy: -39.365 tors. eta vs tors. theta energy: 3.472 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: 10, replica: 2 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -454.477938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.477938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.477938 (E_RNA) where: Base-Base interactions energy: -225.941 where: short stacking energy: -127.121 Base-Backbone interact. energy: -2.507 local terms energy: -226.029667 where: bonds (distance) C4'-P energy: -57.856 bonds (distance) P-C4' energy: -75.476 flat angles C4'-P-C4' energy: -53.815 flat angles P-C4'-P energy: -30.183 tors. eta vs tors. theta energy: -8.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1388.174935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.174935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.174935 (E_RNA) where: Base-Base interactions energy: -947.259 where: short stacking energy: -432.274 Base-Backbone interact. energy: -2.016 local terms energy: -438.900067 where: bonds (distance) C4'-P energy: -79.212 bonds (distance) P-C4' energy: -79.928 flat angles C4'-P-C4' energy: -90.721 flat angles P-C4'-P energy: -65.744 tors. eta vs tors. theta energy: -123.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1345.557068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.557068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.557068 (E_RNA) where: Base-Base interactions energy: -941.836 where: short stacking energy: -385.863 Base-Backbone interact. energy: -1.793 local terms energy: -401.928049 where: bonds (distance) C4'-P energy: -73.848 bonds (distance) P-C4' energy: -81.786 flat angles C4'-P-C4' energy: -82.075 flat angles P-C4'-P energy: -51.751 tors. eta vs tors. theta energy: -112.467 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: 3 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1279.423506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.423506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.423506 (E_RNA) where: Base-Base interactions energy: -909.038 where: short stacking energy: -375.979 Base-Backbone interact. energy: 8.746 local terms energy: -379.131948 where: bonds (distance) C4'-P energy: -65.700 bonds (distance) P-C4' energy: -79.453 flat angles C4'-P-C4' energy: -70.688 flat angles P-C4'-P energy: -56.194 tors. eta vs tors. theta energy: -107.097 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: 4, replica: 6 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1260.201334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.201334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.201334 (E_RNA) where: Base-Base interactions energy: -866.498 where: short stacking energy: -403.457 Base-Backbone interact. energy: 0.307 local terms energy: -394.010358 where: bonds (distance) C4'-P energy: -55.040 bonds (distance) P-C4' energy: -76.566 flat angles C4'-P-C4' energy: -91.546 flat angles P-C4'-P energy: -57.894 tors. eta vs tors. theta energy: -112.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1171.940914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.940914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.940914 (E_RNA) where: Base-Base interactions energy: -793.717 where: short stacking energy: -352.984 Base-Backbone interact. energy: 0.798 local terms energy: -379.022383 where: bonds (distance) C4'-P energy: -68.996 bonds (distance) P-C4' energy: -65.172 flat angles C4'-P-C4' energy: -85.900 flat angles P-C4'-P energy: -55.322 tors. eta vs tors. theta energy: -103.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1049.122596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.122596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.122596 (E_RNA) where: Base-Base interactions energy: -693.717 where: short stacking energy: -322.390 Base-Backbone interact. energy: -0.983 local terms energy: -354.422123 where: bonds (distance) C4'-P energy: -66.143 bonds (distance) P-C4' energy: -72.204 flat angles C4'-P-C4' energy: -86.343 flat angles P-C4'-P energy: -52.231 tors. eta vs tors. theta energy: -77.501 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: 7 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -917.174400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.174400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.174400 (E_RNA) where: Base-Base interactions energy: -614.454 where: short stacking energy: -270.763 Base-Backbone interact. energy: -0.137 local terms energy: -302.583246 where: bonds (distance) C4'-P energy: -67.159 bonds (distance) P-C4' energy: -73.333 flat angles C4'-P-C4' energy: -69.565 flat angles P-C4'-P energy: -42.030 tors. eta vs tors. theta energy: -50.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -772.616717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.616717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.616717 (E_RNA) where: Base-Base interactions energy: -501.674 where: short stacking energy: -205.933 Base-Backbone interact. energy: -0.853 local terms energy: -270.089303 where: bonds (distance) C4'-P energy: -58.418 bonds (distance) P-C4' energy: -61.793 flat angles C4'-P-C4' energy: -65.266 flat angles P-C4'-P energy: -46.315 tors. eta vs tors. theta energy: -38.298 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: 191 Temperature: 1.300000 Total energy: -497.487691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.487691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.487691 (E_RNA) where: Base-Base interactions energy: -272.844 where: short stacking energy: -143.019 Base-Backbone interact. energy: -1.167 local terms energy: -223.476767 where: bonds (distance) C4'-P energy: -55.794 bonds (distance) P-C4' energy: -60.705 flat angles C4'-P-C4' energy: -56.369 flat angles P-C4'-P energy: -49.463 tors. eta vs tors. theta energy: -1.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -499.001783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.001783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.001783 (E_RNA) where: Base-Base interactions energy: -247.438 where: short stacking energy: -145.277 Base-Backbone interact. energy: -1.068 local terms energy: -250.495902 where: bonds (distance) C4'-P energy: -65.782 bonds (distance) P-C4' energy: -67.563 flat angles C4'-P-C4' energy: -56.405 flat angles P-C4'-P energy: -42.760 tors. eta vs tors. theta energy: -17.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1384.154543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.154543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.154543 (E_RNA) where: Base-Base interactions energy: -960.711 where: short stacking energy: -398.735 Base-Backbone interact. energy: -3.846 local terms energy: -419.597719 where: bonds (distance) C4'-P energy: -76.384 bonds (distance) P-C4' energy: -81.777 flat angles C4'-P-C4' energy: -93.948 flat angles P-C4'-P energy: -59.299 tors. eta vs tors. theta energy: -108.190 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: 9 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1378.223491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.223491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.223491 (E_RNA) where: Base-Base interactions energy: -951.396 where: short stacking energy: -428.908 Base-Backbone interact. energy: -1.060 local terms energy: -425.767017 where: bonds (distance) C4'-P energy: -68.860 bonds (distance) P-C4' energy: -89.849 flat angles C4'-P-C4' energy: -93.041 flat angles P-C4'-P energy: -53.629 tors. eta vs tors. theta energy: -120.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1300.900905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.900905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.900905 (E_RNA) where: Base-Base interactions energy: -900.900 where: short stacking energy: -365.714 Base-Backbone interact. energy: -1.338 local terms energy: -398.662239 where: bonds (distance) C4'-P energy: -66.636 bonds (distance) P-C4' energy: -72.781 flat angles C4'-P-C4' energy: -85.991 flat angles P-C4'-P energy: -66.396 tors. eta vs tors. theta energy: -106.858 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: 6 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1254.366988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.366988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.366988 (E_RNA) where: Base-Base interactions energy: -841.641 where: short stacking energy: -378.909 Base-Backbone interact. energy: -2.986 local terms energy: -409.740128 where: bonds (distance) C4'-P energy: -85.195 bonds (distance) P-C4' energy: -73.125 flat angles C4'-P-C4' energy: -86.352 flat angles P-C4'-P energy: -50.686 tors. eta vs tors. theta energy: -114.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1133.994737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.994737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.994737 (E_RNA) where: Base-Base interactions energy: -772.688 where: short stacking energy: -319.085 Base-Backbone interact. energy: -4.493 local terms energy: -356.813348 where: bonds (distance) C4'-P energy: -73.985 bonds (distance) P-C4' energy: -67.027 flat angles C4'-P-C4' energy: -70.667 flat angles P-C4'-P energy: -54.896 tors. eta vs tors. theta energy: -90.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1062.927044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.927044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.927044 (E_RNA) where: Base-Base interactions energy: -719.075 where: short stacking energy: -315.606 Base-Backbone interact. energy: 1.552 local terms energy: -345.404445 where: bonds (distance) C4'-P energy: -75.014 bonds (distance) P-C4' energy: -79.837 flat angles C4'-P-C4' energy: -73.304 flat angles P-C4'-P energy: -44.079 tors. eta vs tors. theta energy: -73.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -980.007819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.007819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.007819 (E_RNA) where: Base-Base interactions energy: -633.605 where: short stacking energy: -280.095 Base-Backbone interact. energy: -3.311 local terms energy: -343.091851 where: bonds (distance) C4'-P energy: -71.094 bonds (distance) P-C4' energy: -61.071 flat angles C4'-P-C4' energy: -78.753 flat angles P-C4'-P energy: -45.222 tors. eta vs tors. theta energy: -86.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -818.989970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.989970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.989970 (E_RNA) where: Base-Base interactions energy: -525.290 where: short stacking energy: -235.765 Base-Backbone interact. energy: -2.024 local terms energy: -291.675954 where: bonds (distance) C4'-P energy: -67.424 bonds (distance) P-C4' energy: -67.808 flat angles C4'-P-C4' energy: -69.809 flat angles P-C4'-P energy: -42.341 tors. eta vs tors. theta energy: -44.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -490.846874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.846874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.846874 (E_RNA) where: Base-Base interactions energy: -261.095 where: short stacking energy: -156.827 Base-Backbone interact. energy: -0.925 local terms energy: -228.826221 where: bonds (distance) C4'-P energy: -58.418 bonds (distance) P-C4' energy: -79.792 flat angles C4'-P-C4' energy: -44.655 flat angles P-C4'-P energy: -24.565 tors. eta vs tors. theta energy: -21.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -478.926752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.926752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.926752 (E_RNA) where: Base-Base interactions energy: -264.381 where: short stacking energy: -141.946 Base-Backbone interact. energy: 0.759 local terms energy: -215.305386 where: bonds (distance) C4'-P energy: -60.391 bonds (distance) P-C4' energy: -67.135 flat angles C4'-P-C4' energy: -68.082 flat angles P-C4'-P energy: -17.121 tors. eta vs tors. theta energy: -2.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1400.438214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.438214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.438214 (E_RNA) where: Base-Base interactions energy: -975.300 where: short stacking energy: -410.959 Base-Backbone interact. energy: -3.135 local terms energy: -422.003468 where: bonds (distance) C4'-P energy: -77.592 bonds (distance) P-C4' energy: -83.993 flat angles C4'-P-C4' energy: -84.219 flat angles P-C4'-P energy: -57.997 tors. eta vs tors. theta energy: -118.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1370.036789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.036789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.036789 (E_RNA) where: Base-Base interactions energy: -940.404 where: short stacking energy: -413.351 Base-Backbone interact. energy: -2.114 local terms energy: -427.519233 where: bonds (distance) C4'-P energy: -83.926 bonds (distance) P-C4' energy: -72.236 flat angles C4'-P-C4' energy: -83.207 flat angles P-C4'-P energy: -63.988 tors. eta vs tors. theta energy: -124.162 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: 3 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1305.603247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.603247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.603247 (E_RNA) where: Base-Base interactions energy: -900.176 where: short stacking energy: -354.598 Base-Backbone interact. energy: -3.066 local terms energy: -402.361787 where: bonds (distance) C4'-P energy: -70.540 bonds (distance) P-C4' energy: -82.942 flat angles C4'-P-C4' energy: -88.528 flat angles P-C4'-P energy: -60.908 tors. eta vs tors. theta energy: -99.444 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: 6 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1229.771306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.771306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.771306 (E_RNA) where: Base-Base interactions energy: -837.600 where: short stacking energy: -379.993 Base-Backbone interact. energy: -2.378 local terms energy: -389.793442 where: bonds (distance) C4'-P energy: -57.215 bonds (distance) P-C4' energy: -66.597 flat angles C4'-P-C4' energy: -90.057 flat angles P-C4'-P energy: -61.998 tors. eta vs tors. theta energy: -113.927 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: 5, replica: 8 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1167.611192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.611192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.611192 (E_RNA) where: Base-Base interactions energy: -788.858 where: short stacking energy: -351.429 Base-Backbone interact. energy: -0.423 local terms energy: -378.329780 where: bonds (distance) C4'-P energy: -77.254 bonds (distance) P-C4' energy: -75.269 flat angles C4'-P-C4' energy: -75.679 flat angles P-C4'-P energy: -55.791 tors. eta vs tors. theta energy: -94.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1052.876266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.876266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.876266 (E_RNA) where: Base-Base interactions energy: -701.635 where: short stacking energy: -324.727 Base-Backbone interact. energy: -4.305 local terms energy: -346.936039 where: bonds (distance) C4'-P energy: -67.049 bonds (distance) P-C4' energy: -74.834 flat angles C4'-P-C4' energy: -82.692 flat angles P-C4'-P energy: -42.025 tors. eta vs tors. theta energy: -80.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -991.182746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.182746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.182746 (E_RNA) where: Base-Base interactions energy: -650.263 where: short stacking energy: -284.440 Base-Backbone interact. energy: -1.259 local terms energy: -339.660093 where: bonds (distance) C4'-P energy: -74.000 bonds (distance) P-C4' energy: -69.685 flat angles C4'-P-C4' energy: -71.297 flat angles P-C4'-P energy: -47.987 tors. eta vs tors. theta energy: -76.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -785.043330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.043330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.043330 (E_RNA) where: Base-Base interactions energy: -493.809 where: short stacking energy: -235.035 Base-Backbone interact. energy: -1.513 local terms energy: -289.720969 where: bonds (distance) C4'-P energy: -65.309 bonds (distance) P-C4' energy: -75.486 flat angles C4'-P-C4' energy: -70.364 flat angles P-C4'-P energy: -32.889 tors. eta vs tors. theta energy: -45.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -510.864409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.864409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.864409 (E_RNA) where: Base-Base interactions energy: -291.518 where: short stacking energy: -174.153 Base-Backbone interact. energy: 6.384 local terms energy: -225.731299 where: bonds (distance) C4'-P energy: -54.275 bonds (distance) P-C4' energy: -62.652 flat angles C4'-P-C4' energy: -65.931 flat angles P-C4'-P energy: -29.429 tors. eta vs tors. theta energy: -13.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -496.328993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.328993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.328993 (E_RNA) where: Base-Base interactions energy: -261.633 where: short stacking energy: -143.257 Base-Backbone interact. energy: -0.751 local terms energy: -233.944804 where: bonds (distance) C4'-P energy: -57.372 bonds (distance) P-C4' energy: -70.686 flat angles C4'-P-C4' energy: -54.472 flat angles P-C4'-P energy: -43.152 tors. eta vs tors. theta energy: -8.263 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: 194 Temperature: 0.900000 Total energy: -1405.514832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.514832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.514832 (E_RNA) where: Base-Base interactions energy: -981.104 where: short stacking energy: -420.496 Base-Backbone interact. energy: -2.346 local terms energy: -422.064691 where: bonds (distance) C4'-P energy: -75.893 bonds (distance) P-C4' energy: -75.235 flat angles C4'-P-C4' energy: -84.495 flat angles P-C4'-P energy: -65.811 tors. eta vs tors. theta energy: -120.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1378.205481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.205481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.205481 (E_RNA) where: Base-Base interactions energy: -953.138 where: short stacking energy: -419.417 Base-Backbone interact. energy: -0.804 local terms energy: -424.263922 where: bonds (distance) C4'-P energy: -80.238 bonds (distance) P-C4' energy: -70.009 flat angles C4'-P-C4' energy: -89.401 flat angles P-C4'-P energy: -57.539 tors. eta vs tors. theta energy: -127.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1306.885496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.885496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.885496 (E_RNA) where: Base-Base interactions energy: -922.779 where: short stacking energy: -386.256 Base-Backbone interact. energy: -2.296 local terms energy: -381.811064 where: bonds (distance) C4'-P energy: -71.371 bonds (distance) P-C4' energy: -74.808 flat angles C4'-P-C4' energy: -82.212 flat angles P-C4'-P energy: -58.958 tors. eta vs tors. theta energy: -94.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1229.295133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.295133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.295133 (E_RNA) where: Base-Base interactions energy: -847.581 where: short stacking energy: -383.804 Base-Backbone interact. energy: -1.238 local terms energy: -380.475414 where: bonds (distance) C4'-P energy: -66.230 bonds (distance) P-C4' energy: -70.068 flat angles C4'-P-C4' energy: -83.365 flat angles P-C4'-P energy: -44.343 tors. eta vs tors. theta energy: -116.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1184.518959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.518959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.518959 (E_RNA) where: Base-Base interactions energy: -801.691 where: short stacking energy: -346.633 Base-Backbone interact. energy: -3.045 local terms energy: -379.782908 where: bonds (distance) C4'-P energy: -69.059 bonds (distance) P-C4' energy: -71.964 flat angles C4'-P-C4' energy: -86.426 flat angles P-C4'-P energy: -53.330 tors. eta vs tors. theta energy: -99.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1069.450973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.450973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.450973 (E_RNA) where: Base-Base interactions energy: -713.208 where: short stacking energy: -311.328 Base-Backbone interact. energy: -2.786 local terms energy: -353.457168 where: bonds (distance) C4'-P energy: -60.471 bonds (distance) P-C4' energy: -82.428 flat angles C4'-P-C4' energy: -74.830 flat angles P-C4'-P energy: -60.256 tors. eta vs tors. theta energy: -75.472 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: 7 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -977.840146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.840146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.840146 (E_RNA) where: Base-Base interactions energy: -656.270 where: short stacking energy: -292.064 Base-Backbone interact. energy: -0.556 local terms energy: -321.014452 where: bonds (distance) C4'-P energy: -52.785 bonds (distance) P-C4' energy: -59.660 flat angles C4'-P-C4' energy: -71.670 flat angles P-C4'-P energy: -56.559 tors. eta vs tors. theta energy: -80.342 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: 5 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -782.336828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.336828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.336828 (E_RNA) where: Base-Base interactions energy: -490.345 where: short stacking energy: -217.338 Base-Backbone interact. energy: 0.713 local terms energy: -292.704340 where: bonds (distance) C4'-P energy: -69.559 bonds (distance) P-C4' energy: -66.956 flat angles C4'-P-C4' energy: -62.786 flat angles P-C4'-P energy: -50.341 tors. eta vs tors. theta energy: -43.063 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: 9, replica: 2 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -531.956876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.956876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.956876 (E_RNA) where: Base-Base interactions energy: -283.988 where: short stacking energy: -143.566 Base-Backbone interact. energy: 0.139 local terms energy: -248.107688 where: bonds (distance) C4'-P energy: -70.504 bonds (distance) P-C4' energy: -63.133 flat angles C4'-P-C4' energy: -71.159 flat angles P-C4'-P energy: -39.761 tors. eta vs tors. theta energy: -3.551 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: 1 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -472.253097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.253097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.253097 (E_RNA) where: Base-Base interactions energy: -245.858 where: short stacking energy: -157.417 Base-Backbone interact. energy: -0.970 local terms energy: -225.424740 where: bonds (distance) C4'-P energy: -63.971 bonds (distance) P-C4' energy: -71.156 flat angles C4'-P-C4' energy: -42.195 flat angles P-C4'-P energy: -32.389 tors. eta vs tors. theta energy: -15.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1401.170160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.170160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.170160 (E_RNA) where: Base-Base interactions energy: -966.739 where: short stacking energy: -413.190 Base-Backbone interact. energy: -3.561 local terms energy: -430.870061 where: bonds (distance) C4'-P energy: -71.258 bonds (distance) P-C4' energy: -86.166 flat angles C4'-P-C4' energy: -90.196 flat angles P-C4'-P energy: -63.551 tors. eta vs tors. theta energy: -119.698 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: 9 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1365.187749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.187749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.187749 (E_RNA) where: Base-Base interactions energy: -942.046 where: short stacking energy: -398.366 Base-Backbone interact. energy: -2.496 local terms energy: -420.645254 where: bonds (distance) C4'-P energy: -72.583 bonds (distance) P-C4' energy: -71.672 flat angles C4'-P-C4' energy: -95.659 flat angles P-C4'-P energy: -63.121 tors. eta vs tors. theta energy: -117.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1285.425112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.425112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.425112 (E_RNA) where: Base-Base interactions energy: -905.015 where: short stacking energy: -349.105 Base-Backbone interact. energy: -3.446 local terms energy: -376.964250 where: bonds (distance) C4'-P energy: -65.709 bonds (distance) P-C4' energy: -74.874 flat angles C4'-P-C4' energy: -90.248 flat angles P-C4'-P energy: -53.792 tors. eta vs tors. theta energy: -92.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1228.218063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.218063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.218063 (E_RNA) where: Base-Base interactions energy: -823.715 where: short stacking energy: -352.216 Base-Backbone interact. energy: -0.059 local terms energy: -404.443675 where: bonds (distance) C4'-P energy: -79.593 bonds (distance) P-C4' energy: -82.401 flat angles C4'-P-C4' energy: -80.142 flat angles P-C4'-P energy: -61.994 tors. eta vs tors. theta energy: -100.314 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: 8 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1178.877810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.877810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.877810 (E_RNA) where: Base-Base interactions energy: -816.035 where: short stacking energy: -333.052 Base-Backbone interact. energy: -2.126 local terms energy: -360.716533 where: bonds (distance) C4'-P energy: -69.943 bonds (distance) P-C4' energy: -63.034 flat angles C4'-P-C4' energy: -76.548 flat angles P-C4'-P energy: -50.505 tors. eta vs tors. theta energy: -100.687 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: 4 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1039.175593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.175593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.175593 (E_RNA) where: Base-Base interactions energy: -701.018 where: short stacking energy: -339.282 Base-Backbone interact. energy: -0.551 local terms energy: -337.605830 where: bonds (distance) C4'-P energy: -62.856 bonds (distance) P-C4' energy: -67.708 flat angles C4'-P-C4' energy: -78.660 flat angles P-C4'-P energy: -40.295 tors. eta vs tors. theta energy: -88.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -939.769262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.769262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.769262 (E_RNA) where: Base-Base interactions energy: -632.194 where: short stacking energy: -279.547 Base-Backbone interact. energy: 3.953 local terms energy: -311.527619 where: bonds (distance) C4'-P energy: -63.920 bonds (distance) P-C4' energy: -73.767 flat angles C4'-P-C4' energy: -66.235 flat angles P-C4'-P energy: -37.122 tors. eta vs tors. theta energy: -70.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -796.112227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.112227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.112227 (E_RNA) where: Base-Base interactions energy: -519.340 where: short stacking energy: -245.962 Base-Backbone interact. energy: 3.340 local terms energy: -280.112885 where: bonds (distance) C4'-P energy: -64.083 bonds (distance) P-C4' energy: -60.504 flat angles C4'-P-C4' energy: -62.332 flat angles P-C4'-P energy: -47.913 tors. eta vs tors. theta energy: -45.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -616.121316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.121316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.121316 (E_RNA) where: Base-Base interactions energy: -352.280 where: short stacking energy: -170.981 Base-Backbone interact. energy: -1.723 local terms energy: -262.119072 where: bonds (distance) C4'-P energy: -60.249 bonds (distance) P-C4' energy: -67.255 flat angles C4'-P-C4' energy: -58.166 flat angles P-C4'-P energy: -48.526 tors. eta vs tors. theta energy: -27.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -496.788264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.788264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.788264 (E_RNA) where: Base-Base interactions energy: -237.828 where: short stacking energy: -132.290 Base-Backbone interact. energy: 0.017 local terms energy: -258.977615 where: bonds (distance) C4'-P energy: -67.776 bonds (distance) P-C4' energy: -75.758 flat angles C4'-P-C4' energy: -55.257 flat angles P-C4'-P energy: -47.505 tors. eta vs tors. theta energy: -12.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1390.949622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.949622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.949622 (E_RNA) where: Base-Base interactions energy: -973.454 where: short stacking energy: -422.891 Base-Backbone interact. energy: -0.431 local terms energy: -417.064137 where: bonds (distance) C4'-P energy: -81.444 bonds (distance) P-C4' energy: -67.378 flat angles C4'-P-C4' energy: -85.488 flat angles P-C4'-P energy: -64.332 tors. eta vs tors. theta energy: -118.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1387.716063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.716063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.716063 (E_RNA) where: Base-Base interactions energy: -950.494 where: short stacking energy: -419.587 Base-Backbone interact. energy: -0.944 local terms energy: -436.277899 where: bonds (distance) C4'-P energy: -71.164 bonds (distance) P-C4' energy: -90.078 flat angles C4'-P-C4' energy: -93.058 flat angles P-C4'-P energy: -67.348 tors. eta vs tors. theta energy: -114.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1275.722270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.722270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.722270 (E_RNA) where: Base-Base interactions energy: -883.920 where: short stacking energy: -370.811 Base-Backbone interact. energy: -2.105 local terms energy: -389.697253 where: bonds (distance) C4'-P energy: -77.373 bonds (distance) P-C4' energy: -81.754 flat angles C4'-P-C4' energy: -84.610 flat angles P-C4'-P energy: -46.508 tors. eta vs tors. theta energy: -99.453 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: 4, replica: 6 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1229.528704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.528704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.528704 (E_RNA) where: Base-Base interactions energy: -836.513 where: short stacking energy: -362.568 Base-Backbone interact. energy: -1.692 local terms energy: -391.323080 where: bonds (distance) C4'-P energy: -64.323 bonds (distance) P-C4' energy: -79.685 flat angles C4'-P-C4' energy: -83.551 flat angles P-C4'-P energy: -56.828 tors. eta vs tors. theta energy: -106.937 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: 8 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1163.353436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.353436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.353436 (E_RNA) where: Base-Base interactions energy: -819.190 where: short stacking energy: -346.711 Base-Backbone interact. energy: -1.842 local terms energy: -342.322268 where: bonds (distance) C4'-P energy: -61.855 bonds (distance) P-C4' energy: -67.532 flat angles C4'-P-C4' energy: -74.786 flat angles P-C4'-P energy: -40.756 tors. eta vs tors. theta energy: -97.393 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: 4 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1078.300539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.300539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.300539 (E_RNA) where: Base-Base interactions energy: -721.195 where: short stacking energy: -314.656 Base-Backbone interact. energy: -1.679 local terms energy: -355.426672 where: bonds (distance) C4'-P energy: -70.359 bonds (distance) P-C4' energy: -69.081 flat angles C4'-P-C4' energy: -71.613 flat angles P-C4'-P energy: -50.813 tors. eta vs tors. theta energy: -93.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -998.068157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.068157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.068157 (E_RNA) where: Base-Base interactions energy: -696.086 where: short stacking energy: -280.592 Base-Backbone interact. energy: -2.401 local terms energy: -299.580224 where: bonds (distance) C4'-P energy: -56.849 bonds (distance) P-C4' energy: -63.324 flat angles C4'-P-C4' energy: -56.373 flat angles P-C4'-P energy: -47.971 tors. eta vs tors. theta energy: -75.063 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: 5 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -769.020521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.020521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.020521 (E_RNA) where: Base-Base interactions energy: -496.379 where: short stacking energy: -218.461 Base-Backbone interact. energy: 1.274 local terms energy: -273.915754 where: bonds (distance) C4'-P energy: -61.305 bonds (distance) P-C4' energy: -67.514 flat angles C4'-P-C4' energy: -66.371 flat angles P-C4'-P energy: -46.714 tors. eta vs tors. theta energy: -32.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -610.369252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.369252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.369252 (E_RNA) where: Base-Base interactions energy: -378.495 where: short stacking energy: -175.455 Base-Backbone interact. energy: 5.138 local terms energy: -237.011820 where: bonds (distance) C4'-P energy: -48.694 bonds (distance) P-C4' energy: -51.230 flat angles C4'-P-C4' energy: -73.122 flat angles P-C4'-P energy: -40.364 tors. eta vs tors. theta energy: -23.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -528.438441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.438441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.438441 (E_RNA) where: Base-Base interactions energy: -295.492 where: short stacking energy: -157.295 Base-Backbone interact. energy: 1.211 local terms energy: -234.157036 where: bonds (distance) C4'-P energy: -63.545 bonds (distance) P-C4' energy: -66.180 flat angles C4'-P-C4' energy: -70.504 flat angles P-C4'-P energy: -32.008 tors. eta vs tors. theta energy: -1.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1411.387735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.387735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.387735 (E_RNA) where: Base-Base interactions energy: -981.653 where: short stacking energy: -426.901 Base-Backbone interact. energy: -1.420 local terms energy: -428.313952 where: bonds (distance) C4'-P energy: -76.938 bonds (distance) P-C4' energy: -65.641 flat angles C4'-P-C4' energy: -94.304 flat angles P-C4'-P energy: -61.154 tors. eta vs tors. theta energy: -130.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1387.265428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.265428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.265428 (E_RNA) where: Base-Base interactions energy: -966.453 where: short stacking energy: -408.321 Base-Backbone interact. energy: -1.377 local terms energy: -419.436314 where: bonds (distance) C4'-P energy: -90.134 bonds (distance) P-C4' energy: -75.887 flat angles C4'-P-C4' energy: -79.667 flat angles P-C4'-P energy: -58.078 tors. eta vs tors. theta energy: -115.670 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: 3 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1275.357964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.357964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.357964 (E_RNA) where: Base-Base interactions energy: -879.136 where: short stacking energy: -363.445 Base-Backbone interact. energy: -1.524 local terms energy: -394.698518 where: bonds (distance) C4'-P energy: -72.858 bonds (distance) P-C4' energy: -72.215 flat angles C4'-P-C4' energy: -82.626 flat angles P-C4'-P energy: -66.942 tors. eta vs tors. theta energy: -100.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1229.860309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.860309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.860309 (E_RNA) where: Base-Base interactions energy: -841.282 where: short stacking energy: -369.210 Base-Backbone interact. energy: -0.940 local terms energy: -387.638301 where: bonds (distance) C4'-P energy: -74.311 bonds (distance) P-C4' energy: -72.824 flat angles C4'-P-C4' energy: -82.768 flat angles P-C4'-P energy: -54.283 tors. eta vs tors. theta energy: -103.452 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: 8 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1202.140604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.140604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.140604 (E_RNA) where: Base-Base interactions energy: -824.206 where: short stacking energy: -337.442 Base-Backbone interact. energy: -3.992 local terms energy: -373.942980 where: bonds (distance) C4'-P energy: -78.784 bonds (distance) P-C4' energy: -74.590 flat angles C4'-P-C4' energy: -77.996 flat angles P-C4'-P energy: -42.807 tors. eta vs tors. theta energy: -99.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1043.222545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.222545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.222545 (E_RNA) where: Base-Base interactions energy: -734.126 where: short stacking energy: -309.098 Base-Backbone interact. energy: -0.811 local terms energy: -308.286374 where: bonds (distance) C4'-P energy: -58.202 bonds (distance) P-C4' energy: -49.808 flat angles C4'-P-C4' energy: -72.184 flat angles P-C4'-P energy: -49.682 tors. eta vs tors. theta energy: -78.410 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: 4 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1051.546252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.546252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.546252 (E_RNA) where: Base-Base interactions energy: -723.043 where: short stacking energy: -325.051 Base-Backbone interact. energy: -1.268 local terms energy: -327.235564 where: bonds (distance) C4'-P energy: -67.841 bonds (distance) P-C4' energy: -59.684 flat angles C4'-P-C4' energy: -71.552 flat angles P-C4'-P energy: -39.013 tors. eta vs tors. theta energy: -89.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -821.104491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.104491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.104491 (E_RNA) where: Base-Base interactions energy: -531.049 where: short stacking energy: -254.504 Base-Backbone interact. energy: -1.418 local terms energy: -288.637510 where: bonds (distance) C4'-P energy: -64.253 bonds (distance) P-C4' energy: -49.462 flat angles C4'-P-C4' energy: -74.810 flat angles P-C4'-P energy: -56.131 tors. eta vs tors. theta energy: -43.982 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: 2 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -605.956253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.956253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.956253 (E_RNA) where: Base-Base interactions energy: -355.625 where: short stacking energy: -167.490 Base-Backbone interact. energy: -0.904 local terms energy: -249.428036 where: bonds (distance) C4'-P energy: -52.638 bonds (distance) P-C4' energy: -68.767 flat angles C4'-P-C4' energy: -64.202 flat angles P-C4'-P energy: -36.968 tors. eta vs tors. theta energy: -26.854 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: 197 Temperature: 1.350000 Total energy: -492.866505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.866505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.866505 (E_RNA) where: Base-Base interactions energy: -255.678 where: short stacking energy: -136.821 Base-Backbone interact. energy: 0.576 local terms energy: -237.764498 where: bonds (distance) C4'-P energy: -71.127 bonds (distance) P-C4' energy: -62.217 flat angles C4'-P-C4' energy: -57.218 flat angles P-C4'-P energy: -41.424 tors. eta vs tors. theta energy: -5.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1419.346517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.346517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.346517 (E_RNA) where: Base-Base interactions energy: -979.816 where: short stacking energy: -427.475 Base-Backbone interact. energy: -2.861 local terms energy: -436.668874 where: bonds (distance) C4'-P energy: -82.476 bonds (distance) P-C4' energy: -73.543 flat angles C4'-P-C4' energy: -93.097 flat angles P-C4'-P energy: -65.051 tors. eta vs tors. theta energy: -122.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1346.854876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.854876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.854876 (E_RNA) where: Base-Base interactions energy: -942.788 where: short stacking energy: -406.599 Base-Backbone interact. energy: -1.133 local terms energy: -402.933771 where: bonds (distance) C4'-P energy: -65.303 bonds (distance) P-C4' energy: -82.542 flat angles C4'-P-C4' energy: -75.373 flat angles P-C4'-P energy: -59.183 tors. eta vs tors. theta energy: -120.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1316.392895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.392895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.392895 (E_RNA) where: Base-Base interactions energy: -908.824 where: short stacking energy: -369.762 Base-Backbone interact. energy: -1.831 local terms energy: -405.737756 where: bonds (distance) C4'-P energy: -78.161 bonds (distance) P-C4' energy: -81.030 flat angles C4'-P-C4' energy: -92.587 flat angles P-C4'-P energy: -53.813 tors. eta vs tors. theta energy: -100.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1253.364719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.364719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.364719 (E_RNA) where: Base-Base interactions energy: -841.556 where: short stacking energy: -368.042 Base-Backbone interact. energy: -0.172 local terms energy: -411.637070 where: bonds (distance) C4'-P energy: -72.585 bonds (distance) P-C4' energy: -79.485 flat angles C4'-P-C4' energy: -85.154 flat angles P-C4'-P energy: -55.561 tors. eta vs tors. theta energy: -118.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1212.359784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.359784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.359784 (E_RNA) where: Base-Base interactions energy: -841.770 where: short stacking energy: -347.316 Base-Backbone interact. energy: -2.002 local terms energy: -368.587885 where: bonds (distance) C4'-P energy: -56.035 bonds (distance) P-C4' energy: -77.029 flat angles C4'-P-C4' energy: -79.698 flat angles P-C4'-P energy: -56.487 tors. eta vs tors. theta energy: -99.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1051.437184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.437184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.437184 (E_RNA) where: Base-Base interactions energy: -719.354 where: short stacking energy: -326.661 Base-Backbone interact. energy: -2.817 local terms energy: -329.266128 where: bonds (distance) C4'-P energy: -56.343 bonds (distance) P-C4' energy: -61.831 flat angles C4'-P-C4' energy: -71.698 flat angles P-C4'-P energy: -55.107 tors. eta vs tors. theta energy: -84.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -991.920990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.920990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.920990 (E_RNA) where: Base-Base interactions energy: -688.079 where: short stacking energy: -304.479 Base-Backbone interact. energy: -2.088 local terms energy: -301.753063 where: bonds (distance) C4'-P energy: -63.845 bonds (distance) P-C4' energy: -50.870 flat angles C4'-P-C4' energy: -72.317 flat angles P-C4'-P energy: -50.539 tors. eta vs tors. theta energy: -64.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -884.566191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.566191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.566191 (E_RNA) where: Base-Base interactions energy: -586.015 where: short stacking energy: -272.321 Base-Backbone interact. energy: 0.093 local terms energy: -298.644211 where: bonds (distance) C4'-P energy: -54.118 bonds (distance) P-C4' energy: -68.713 flat angles C4'-P-C4' energy: -75.930 flat angles P-C4'-P energy: -36.467 tors. eta vs tors. theta energy: -63.416 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: 1 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -533.421156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.421156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.421156 (E_RNA) where: Base-Base interactions energy: -301.954 where: short stacking energy: -156.608 Base-Backbone interact. energy: 1.093 local terms energy: -232.560132 where: bonds (distance) C4'-P energy: -49.997 bonds (distance) P-C4' energy: -70.531 flat angles C4'-P-C4' energy: -63.857 flat angles P-C4'-P energy: -39.276 tors. eta vs tors. theta energy: -8.898 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: 2 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -533.246750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.246750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.246750 (E_RNA) where: Base-Base interactions energy: -298.310 where: short stacking energy: -159.763 Base-Backbone interact. energy: 0.598 local terms energy: -235.534221 where: bonds (distance) C4'-P energy: -59.798 bonds (distance) P-C4' energy: -59.309 flat angles C4'-P-C4' energy: -68.637 flat angles P-C4'-P energy: -38.775 tors. eta vs tors. theta energy: -9.015 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: 10 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1424.926923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.926923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.926923 (E_RNA) where: Base-Base interactions energy: -996.347 where: short stacking energy: -408.851 Base-Backbone interact. energy: -3.575 local terms energy: -425.004793 where: bonds (distance) C4'-P energy: -69.123 bonds (distance) P-C4' energy: -80.864 flat angles C4'-P-C4' energy: -100.441 flat angles P-C4'-P energy: -63.492 tors. eta vs tors. theta energy: -111.085 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: 9 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1377.928708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.928708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.928708 (E_RNA) where: Base-Base interactions energy: -945.857 where: short stacking energy: -423.684 Base-Backbone interact. energy: -3.181 local terms energy: -428.890019 where: bonds (distance) C4'-P energy: -74.096 bonds (distance) P-C4' energy: -78.014 flat angles C4'-P-C4' energy: -89.904 flat angles P-C4'-P energy: -59.611 tors. eta vs tors. theta energy: -127.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1316.597397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.597397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.597397 (E_RNA) where: Base-Base interactions energy: -913.073 where: short stacking energy: -376.558 Base-Backbone interact. energy: -1.553 local terms energy: -401.971359 where: bonds (distance) C4'-P energy: -73.498 bonds (distance) P-C4' energy: -78.003 flat angles C4'-P-C4' energy: -80.815 flat angles P-C4'-P energy: -63.270 tors. eta vs tors. theta energy: -106.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1246.031605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.031605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.031605 (E_RNA) where: Base-Base interactions energy: -841.255 where: short stacking energy: -400.472 Base-Backbone interact. energy: -1.648 local terms energy: -403.128778 where: bonds (distance) C4'-P energy: -65.188 bonds (distance) P-C4' energy: -73.284 flat angles C4'-P-C4' energy: -96.841 flat angles P-C4'-P energy: -52.333 tors. eta vs tors. theta energy: -115.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1175.366800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.366800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.366800 (E_RNA) where: Base-Base interactions energy: -800.618 where: short stacking energy: -328.518 Base-Backbone interact. energy: -1.517 local terms energy: -373.232096 where: bonds (distance) C4'-P energy: -71.519 bonds (distance) P-C4' energy: -78.309 flat angles C4'-P-C4' energy: -82.811 flat angles P-C4'-P energy: -54.241 tors. eta vs tors. theta energy: -86.352 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: 4 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1028.901140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.901140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.901140 (E_RNA) where: Base-Base interactions energy: -687.766 where: short stacking energy: -281.527 Base-Backbone interact. energy: -1.205 local terms energy: -339.930214 where: bonds (distance) C4'-P energy: -67.283 bonds (distance) P-C4' energy: -73.953 flat angles C4'-P-C4' energy: -68.952 flat angles P-C4'-P energy: -55.134 tors. eta vs tors. theta energy: -74.609 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: 7 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -976.119157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.119157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.119157 (E_RNA) where: Base-Base interactions energy: -639.119 where: short stacking energy: -261.310 Base-Backbone interact. energy: -0.757 local terms energy: -336.242490 where: bonds (distance) C4'-P energy: -80.844 bonds (distance) P-C4' energy: -67.707 flat angles C4'-P-C4' energy: -69.943 flat angles P-C4'-P energy: -46.929 tors. eta vs tors. theta energy: -70.820 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: 5 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -862.903700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.903700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.903700 (E_RNA) where: Base-Base interactions energy: -570.559 where: short stacking energy: -259.989 Base-Backbone interact. energy: 0.366 local terms energy: -292.710501 where: bonds (distance) C4'-P energy: -53.414 bonds (distance) P-C4' energy: -76.953 flat angles C4'-P-C4' energy: -73.387 flat angles P-C4'-P energy: -45.150 tors. eta vs tors. theta energy: -43.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -590.647176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.647176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.647176 (E_RNA) where: Base-Base interactions energy: -344.707 where: short stacking energy: -170.766 Base-Backbone interact. energy: -0.512 local terms energy: -245.428116 where: bonds (distance) C4'-P energy: -53.548 bonds (distance) P-C4' energy: -70.908 flat angles C4'-P-C4' energy: -68.439 flat angles P-C4'-P energy: -35.950 tors. eta vs tors. theta energy: -16.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -502.701680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.701680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.701680 (E_RNA) where: Base-Base interactions energy: -280.963 where: short stacking energy: -142.062 Base-Backbone interact. energy: 1.223 local terms energy: -222.961640 where: bonds (distance) C4'-P energy: -66.856 bonds (distance) P-C4' energy: -66.747 flat angles C4'-P-C4' energy: -51.823 flat angles P-C4'-P energy: -35.803 tors. eta vs tors. theta energy: -1.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1400.311663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.311663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.311663 (E_RNA) where: Base-Base interactions energy: -982.712 where: short stacking energy: -396.863 Base-Backbone interact. energy: -3.058 local terms energy: -414.541772 where: bonds (distance) C4'-P energy: -74.658 bonds (distance) P-C4' energy: -72.810 flat angles C4'-P-C4' energy: -82.430 flat angles P-C4'-P energy: -65.581 tors. eta vs tors. theta energy: -119.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1388.910750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.910750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.910750 (E_RNA) where: Base-Base interactions energy: -956.856 where: short stacking energy: -434.114 Base-Backbone interact. energy: -0.983 local terms energy: -431.072329 where: bonds (distance) C4'-P energy: -82.144 bonds (distance) P-C4' energy: -78.493 flat angles C4'-P-C4' energy: -85.122 flat angles P-C4'-P energy: -58.541 tors. eta vs tors. theta energy: -126.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1298.175723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.175723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.175723 (E_RNA) where: Base-Base interactions energy: -917.247 where: short stacking energy: -381.079 Base-Backbone interact. energy: -1.165 local terms energy: -379.763327 where: bonds (distance) C4'-P energy: -64.302 bonds (distance) P-C4' energy: -79.175 flat angles C4'-P-C4' energy: -82.330 flat angles P-C4'-P energy: -50.398 tors. eta vs tors. theta energy: -103.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1231.298829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.298829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.298829 (E_RNA) where: Base-Base interactions energy: -823.445 where: short stacking energy: -342.539 Base-Backbone interact. energy: -2.299 local terms energy: -405.554635 where: bonds (distance) C4'-P energy: -78.201 bonds (distance) P-C4' energy: -89.296 flat angles C4'-P-C4' energy: -79.222 flat angles P-C4'-P energy: -52.569 tors. eta vs tors. theta energy: -106.267 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: 8 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1161.385978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.385978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.385978 (E_RNA) where: Base-Base interactions energy: -787.332 where: short stacking energy: -351.437 Base-Backbone interact. energy: -2.993 local terms energy: -371.061167 where: bonds (distance) C4'-P energy: -67.166 bonds (distance) P-C4' energy: -84.573 flat angles C4'-P-C4' energy: -70.404 flat angles P-C4'-P energy: -59.280 tors. eta vs tors. theta energy: -89.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1030.123739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.123739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.123739 (E_RNA) where: Base-Base interactions energy: -672.231 where: short stacking energy: -302.931 Base-Backbone interact. energy: 0.579 local terms energy: -358.472055 where: bonds (distance) C4'-P energy: -74.609 bonds (distance) P-C4' energy: -66.345 flat angles C4'-P-C4' energy: -86.296 flat angles P-C4'-P energy: -51.435 tors. eta vs tors. theta energy: -79.787 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: 7 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -923.423092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.423092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.423092 (E_RNA) where: Base-Base interactions energy: -620.774 where: short stacking energy: -268.473 Base-Backbone interact. energy: 4.333 local terms energy: -306.981236 where: bonds (distance) C4'-P energy: -49.749 bonds (distance) P-C4' energy: -66.976 flat angles C4'-P-C4' energy: -72.816 flat angles P-C4'-P energy: -46.980 tors. eta vs tors. theta energy: -70.460 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: 5 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -884.186209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.186209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.186209 (E_RNA) where: Base-Base interactions energy: -590.571 where: short stacking energy: -265.078 Base-Backbone interact. energy: 0.735 local terms energy: -294.350460 where: bonds (distance) C4'-P energy: -62.186 bonds (distance) P-C4' energy: -69.405 flat angles C4'-P-C4' energy: -65.833 flat angles P-C4'-P energy: -41.621 tors. eta vs tors. theta energy: -55.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -558.945163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.945163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.945163 (E_RNA) where: Base-Base interactions energy: -312.916 where: short stacking energy: -168.138 Base-Backbone interact. energy: 1.026 local terms energy: -247.054581 where: bonds (distance) C4'-P energy: -65.794 bonds (distance) P-C4' energy: -56.953 flat angles C4'-P-C4' energy: -72.591 flat angles P-C4'-P energy: -32.314 tors. eta vs tors. theta energy: -19.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -456.930968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.930968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.930968 (E_RNA) where: Base-Base interactions energy: -254.850 where: short stacking energy: -161.347 Base-Backbone interact. energy: 2.823 local terms energy: -204.904308 where: bonds (distance) C4'-P energy: -68.812 bonds (distance) P-C4' energy: -63.398 flat angles C4'-P-C4' energy: -50.917 flat angles P-C4'-P energy: -23.059 tors. eta vs tors. theta energy: 1.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1402.381401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.381401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.381401 (E_RNA) where: Base-Base interactions energy: -978.070 where: short stacking energy: -412.497 Base-Backbone interact. energy: -4.824 local terms energy: -419.487469 where: bonds (distance) C4'-P energy: -77.105 bonds (distance) P-C4' energy: -71.854 flat angles C4'-P-C4' energy: -91.674 flat angles P-C4'-P energy: -61.542 tors. eta vs tors. theta energy: -117.312 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: 9 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1356.473088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.473088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.473088 (E_RNA) where: Base-Base interactions energy: -942.026 where: short stacking energy: -411.288 Base-Backbone interact. energy: -0.688 local terms energy: -413.758505 where: bonds (distance) C4'-P energy: -80.056 bonds (distance) P-C4' energy: -60.114 flat angles C4'-P-C4' energy: -91.826 flat angles P-C4'-P energy: -56.783 tors. eta vs tors. theta energy: -124.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1295.673046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.673046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.673046 (E_RNA) where: Base-Base interactions energy: -886.378 where: short stacking energy: -366.332 Base-Backbone interact. energy: -2.131 local terms energy: -407.164309 where: bonds (distance) C4'-P energy: -84.978 bonds (distance) P-C4' energy: -74.033 flat angles C4'-P-C4' energy: -86.135 flat angles P-C4'-P energy: -60.939 tors. eta vs tors. theta energy: -101.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1225.467588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.467588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.467588 (E_RNA) where: Base-Base interactions energy: -819.453 where: short stacking energy: -373.091 Base-Backbone interact. energy: -0.454 local terms energy: -405.560770 where: bonds (distance) C4'-P energy: -74.119 bonds (distance) P-C4' energy: -77.744 flat angles C4'-P-C4' energy: -86.467 flat angles P-C4'-P energy: -58.283 tors. eta vs tors. theta energy: -108.948 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: 8 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1188.786345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.786345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.786345 (E_RNA) where: Base-Base interactions energy: -826.430 where: short stacking energy: -321.349 Base-Backbone interact. energy: -2.700 local terms energy: -359.656095 where: bonds (distance) C4'-P energy: -57.906 bonds (distance) P-C4' energy: -82.766 flat angles C4'-P-C4' energy: -75.668 flat angles P-C4'-P energy: -50.804 tors. eta vs tors. theta energy: -92.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -957.056414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.056414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.056414 (E_RNA) where: Base-Base interactions energy: -613.944 where: short stacking energy: -291.525 Base-Backbone interact. energy: -3.431 local terms energy: -339.681392 where: bonds (distance) C4'-P energy: -64.876 bonds (distance) P-C4' energy: -68.355 flat angles C4'-P-C4' energy: -77.264 flat angles P-C4'-P energy: -46.896 tors. eta vs tors. theta energy: -82.290 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: 4 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1019.590053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.590053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.590053 (E_RNA) where: Base-Base interactions energy: -682.694 where: short stacking energy: -297.718 Base-Backbone interact. energy: -3.508 local terms energy: -333.388489 where: bonds (distance) C4'-P energy: -71.510 bonds (distance) P-C4' energy: -63.124 flat angles C4'-P-C4' energy: -72.438 flat angles P-C4'-P energy: -58.768 tors. eta vs tors. theta energy: -67.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -877.225312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.225312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.225312 (E_RNA) where: Base-Base interactions energy: -582.929 where: short stacking energy: -265.310 Base-Backbone interact. energy: -0.394 local terms energy: -293.902590 where: bonds (distance) C4'-P energy: -50.869 bonds (distance) P-C4' energy: -77.334 flat angles C4'-P-C4' energy: -56.203 flat angles P-C4'-P energy: -47.030 tors. eta vs tors. theta energy: -62.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -559.518146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.518146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.518146 (E_RNA) where: Base-Base interactions energy: -296.474 where: short stacking energy: -148.534 Base-Backbone interact. energy: -1.272 local terms energy: -261.772264 where: bonds (distance) C4'-P energy: -59.119 bonds (distance) P-C4' energy: -67.809 flat angles C4'-P-C4' energy: -63.983 flat angles P-C4'-P energy: -52.145 tors. eta vs tors. theta energy: -18.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -473.449551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.449551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.449551 (E_RNA) where: Base-Base interactions energy: -231.745 where: short stacking energy: -132.717 Base-Backbone interact. energy: 0.612 local terms energy: -242.316661 where: bonds (distance) C4'-P energy: -65.068 bonds (distance) P-C4' energy: -79.665 flat angles C4'-P-C4' energy: -49.343 flat angles P-C4'-P energy: -36.734 tors. eta vs tors. theta energy: -11.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1393.352984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.352984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.352984 (E_RNA) where: Base-Base interactions energy: -966.239 where: short stacking energy: -401.255 Base-Backbone interact. energy: -5.817 local terms energy: -421.296481 where: bonds (distance) C4'-P energy: -77.458 bonds (distance) P-C4' energy: -82.016 flat angles C4'-P-C4' energy: -85.653 flat angles P-C4'-P energy: -64.618 tors. eta vs tors. theta energy: -111.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1368.964947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.964947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.964947 (E_RNA) where: Base-Base interactions energy: -954.958 where: short stacking energy: -408.079 Base-Backbone interact. energy: -2.301 local terms energy: -411.705840 where: bonds (distance) C4'-P energy: -64.554 bonds (distance) P-C4' energy: -73.746 flat angles C4'-P-C4' energy: -93.995 flat angles P-C4'-P energy: -61.208 tors. eta vs tors. theta energy: -118.203 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: 3 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1300.896555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.896555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.896555 (E_RNA) where: Base-Base interactions energy: -885.639 where: short stacking energy: -369.777 Base-Backbone interact. energy: -2.748 local terms energy: -412.508992 where: bonds (distance) C4'-P energy: -78.980 bonds (distance) P-C4' energy: -79.588 flat angles C4'-P-C4' energy: -81.560 flat angles P-C4'-P energy: -63.562 tors. eta vs tors. theta energy: -108.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1238.651262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.651262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.651262 (E_RNA) where: Base-Base interactions energy: -833.672 where: short stacking energy: -368.187 Base-Backbone interact. energy: -2.684 local terms energy: -402.295329 where: bonds (distance) C4'-P energy: -70.328 bonds (distance) P-C4' energy: -77.404 flat angles C4'-P-C4' energy: -87.113 flat angles P-C4'-P energy: -55.858 tors. eta vs tors. theta energy: -111.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1173.929662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.929662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.929662 (E_RNA) where: Base-Base interactions energy: -816.253 where: short stacking energy: -346.902 Base-Backbone interact. energy: -1.633 local terms energy: -356.043663 where: bonds (distance) C4'-P energy: -67.271 bonds (distance) P-C4' energy: -71.232 flat angles C4'-P-C4' energy: -72.783 flat angles P-C4'-P energy: -46.725 tors. eta vs tors. theta energy: -98.032 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: 202 Temperature: 1.150000 Total energy: -968.987345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.987345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.987345 (E_RNA) where: Base-Base interactions energy: -643.364 where: short stacking energy: -281.353 Base-Backbone interact. energy: -0.677 local terms energy: -324.946360 where: bonds (distance) C4'-P energy: -71.351 bonds (distance) P-C4' energy: -69.963 flat angles C4'-P-C4' energy: -78.747 flat angles P-C4'-P energy: -42.598 tors. eta vs tors. theta energy: -62.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1043.380074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.380074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.380074 (E_RNA) where: Base-Base interactions energy: -712.858 where: short stacking energy: -302.135 Base-Backbone interact. energy: -0.223 local terms energy: -330.299013 where: bonds (distance) C4'-P energy: -66.430 bonds (distance) P-C4' energy: -64.794 flat angles C4'-P-C4' energy: -79.769 flat angles P-C4'-P energy: -45.725 tors. eta vs tors. theta energy: -73.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -868.710693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.710693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.710693 (E_RNA) where: Base-Base interactions energy: -575.649 where: short stacking energy: -238.158 Base-Backbone interact. energy: -1.680 local terms energy: -291.382204 where: bonds (distance) C4'-P energy: -69.025 bonds (distance) P-C4' energy: -66.381 flat angles C4'-P-C4' energy: -54.596 flat angles P-C4'-P energy: -51.488 tors. eta vs tors. theta energy: -49.892 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: 202 Temperature: 1.300000 Total energy: -524.038617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.038617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.038617 (E_RNA) where: Base-Base interactions energy: -281.711 where: short stacking energy: -156.757 Base-Backbone interact. energy: -0.031 local terms energy: -242.296397 where: bonds (distance) C4'-P energy: -61.481 bonds (distance) P-C4' energy: -65.886 flat angles C4'-P-C4' energy: -54.726 flat angles P-C4'-P energy: -38.280 tors. eta vs tors. theta energy: -21.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -456.682418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.682418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.682418 (E_RNA) where: Base-Base interactions energy: -228.986 where: short stacking energy: -136.106 Base-Backbone interact. energy: 1.343 local terms energy: -229.039184 where: bonds (distance) C4'-P energy: -62.313 bonds (distance) P-C4' energy: -75.871 flat angles C4'-P-C4' energy: -55.175 flat angles P-C4'-P energy: -40.797 tors. eta vs tors. theta energy: 5.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1406.787029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.787029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.787029 (E_RNA) where: Base-Base interactions energy: -985.933 where: short stacking energy: -410.567 Base-Backbone interact. energy: 1.325 local terms energy: -422.179337 where: bonds (distance) C4'-P energy: -81.247 bonds (distance) P-C4' energy: -78.664 flat angles C4'-P-C4' energy: -89.662 flat angles P-C4'-P energy: -57.851 tors. eta vs tors. theta energy: -114.755 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: 9 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1373.797032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.797032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.797032 (E_RNA) where: Base-Base interactions energy: -948.163 where: short stacking energy: -417.927 Base-Backbone interact. energy: 0.678 local terms energy: -426.311281 where: bonds (distance) C4'-P energy: -75.038 bonds (distance) P-C4' energy: -80.684 flat angles C4'-P-C4' energy: -87.981 flat angles P-C4'-P energy: -60.040 tors. eta vs tors. theta energy: -122.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1302.125489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.125489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.125489 (E_RNA) where: Base-Base interactions energy: -919.245 where: short stacking energy: -379.683 Base-Backbone interact. energy: -0.730 local terms energy: -382.150334 where: bonds (distance) C4'-P energy: -69.362 bonds (distance) P-C4' energy: -73.950 flat angles C4'-P-C4' energy: -84.177 flat angles P-C4'-P energy: -51.302 tors. eta vs tors. theta energy: -103.359 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: 6 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1237.698276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.698276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.698276 (E_RNA) where: Base-Base interactions energy: -861.528 where: short stacking energy: -389.857 Base-Backbone interact. energy: -2.215 local terms energy: -373.955835 where: bonds (distance) C4'-P energy: -69.190 bonds (distance) P-C4' energy: -66.894 flat angles C4'-P-C4' energy: -79.343 flat angles P-C4'-P energy: -54.191 tors. eta vs tors. theta energy: -104.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1184.340239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.340239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.340239 (E_RNA) where: Base-Base interactions energy: -838.740 where: short stacking energy: -361.431 Base-Backbone interact. energy: -4.092 local terms energy: -341.508890 where: bonds (distance) C4'-P energy: -66.006 bonds (distance) P-C4' energy: -62.247 flat angles C4'-P-C4' energy: -73.472 flat angles P-C4'-P energy: -38.063 tors. eta vs tors. theta energy: -101.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1095.488577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.488577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.488577 (E_RNA) where: Base-Base interactions energy: -735.157 where: short stacking energy: -310.054 Base-Backbone interact. energy: -1.412 local terms energy: -358.919100 where: bonds (distance) C4'-P energy: -76.073 bonds (distance) P-C4' energy: -64.805 flat angles C4'-P-C4' energy: -72.796 flat angles P-C4'-P energy: -52.311 tors. eta vs tors. theta energy: -92.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -960.673565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.673565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.673565 (E_RNA) where: Base-Base interactions energy: -645.726 where: short stacking energy: -245.602 Base-Backbone interact. energy: -0.603 local terms energy: -314.344774 where: bonds (distance) C4'-P energy: -60.259 bonds (distance) P-C4' energy: -74.537 flat angles C4'-P-C4' energy: -59.905 flat angles P-C4'-P energy: -49.708 tors. eta vs tors. theta energy: -69.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -881.865816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.865816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.865816 (E_RNA) where: Base-Base interactions energy: -591.727 where: short stacking energy: -240.977 Base-Backbone interact. energy: -1.823 local terms energy: -288.315646 where: bonds (distance) C4'-P energy: -59.048 bonds (distance) P-C4' energy: -67.074 flat angles C4'-P-C4' energy: -61.552 flat angles P-C4'-P energy: -55.445 tors. eta vs tors. theta energy: -45.198 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: 9, replica: 1 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -573.565746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.565746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.565746 (E_RNA) where: Base-Base interactions energy: -343.052 where: short stacking energy: -172.059 Base-Backbone interact. energy: -1.431 local terms energy: -229.082458 where: bonds (distance) C4'-P energy: -71.547 bonds (distance) P-C4' energy: -60.364 flat angles C4'-P-C4' energy: -47.310 flat angles P-C4'-P energy: -40.648 tors. eta vs tors. theta energy: -9.213 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: 2 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -463.606558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.606558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.606558 (E_RNA) where: Base-Base interactions energy: -249.642 where: short stacking energy: -127.193 Base-Backbone interact. energy: -1.312 local terms energy: -212.652634 where: bonds (distance) C4'-P energy: -65.878 bonds (distance) P-C4' energy: -58.553 flat angles C4'-P-C4' energy: -60.404 flat angles P-C4'-P energy: -22.719 tors. eta vs tors. theta energy: -5.099 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: 1, replica: 9 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1407.480012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.480012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.480012 (E_RNA) where: Base-Base interactions energy: -962.108 where: short stacking energy: -434.627 Base-Backbone interact. energy: -0.367 local terms energy: -445.005185 where: bonds (distance) C4'-P energy: -76.286 bonds (distance) P-C4' energy: -76.046 flat angles C4'-P-C4' energy: -92.667 flat angles P-C4'-P energy: -70.900 tors. eta vs tors. theta energy: -129.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1360.943306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.943306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.943306 (E_RNA) where: Base-Base interactions energy: -953.918 where: short stacking energy: -396.111 Base-Backbone interact. energy: 2.589 local terms energy: -409.614692 where: bonds (distance) C4'-P energy: -81.463 bonds (distance) P-C4' energy: -70.780 flat angles C4'-P-C4' energy: -82.119 flat angles P-C4'-P energy: -56.716 tors. eta vs tors. theta energy: -118.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1260.391341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.391341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.391341 (E_RNA) where: Base-Base interactions energy: -866.392 where: short stacking energy: -372.806 Base-Backbone interact. energy: -1.693 local terms energy: -392.306008 where: bonds (distance) C4'-P energy: -82.103 bonds (distance) P-C4' energy: -71.069 flat angles C4'-P-C4' energy: -79.340 flat angles P-C4'-P energy: -56.417 tors. eta vs tors. theta energy: -103.378 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: 3 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1257.294986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.294986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.294986 (E_RNA) where: Base-Base interactions energy: -875.614 where: short stacking energy: -353.241 Base-Backbone interact. energy: -1.894 local terms energy: -379.787531 where: bonds (distance) C4'-P energy: -71.518 bonds (distance) P-C4' energy: -71.529 flat angles C4'-P-C4' energy: -82.732 flat angles P-C4'-P energy: -49.121 tors. eta vs tors. theta energy: -104.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1172.493372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.493372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.493372 (E_RNA) where: Base-Base interactions energy: -801.434 where: short stacking energy: -332.813 Base-Backbone interact. energy: 1.406 local terms energy: -372.465591 where: bonds (distance) C4'-P energy: -73.445 bonds (distance) P-C4' energy: -66.409 flat angles C4'-P-C4' energy: -80.006 flat angles P-C4'-P energy: -52.432 tors. eta vs tors. theta energy: -100.174 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: 4 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1096.053857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.053857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.053857 (E_RNA) where: Base-Base interactions energy: -737.944 where: short stacking energy: -333.493 Base-Backbone interact. energy: 0.851 local terms energy: -358.960632 where: bonds (distance) C4'-P energy: -69.294 bonds (distance) P-C4' energy: -68.946 flat angles C4'-P-C4' energy: -84.058 flat angles P-C4'-P energy: -47.576 tors. eta vs tors. theta energy: -89.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -944.854280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.854280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.854280 (E_RNA) where: Base-Base interactions energy: -625.845 where: short stacking energy: -282.823 Base-Backbone interact. energy: 1.919 local terms energy: -320.928455 where: bonds (distance) C4'-P energy: -65.201 bonds (distance) P-C4' energy: -74.420 flat angles C4'-P-C4' energy: -73.964 flat angles P-C4'-P energy: -48.645 tors. eta vs tors. theta energy: -58.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -873.909142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.909142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.909142 (E_RNA) where: Base-Base interactions energy: -586.416 where: short stacking energy: -252.731 Base-Backbone interact. energy: -0.315 local terms energy: -287.177475 where: bonds (distance) C4'-P energy: -55.017 bonds (distance) P-C4' energy: -66.587 flat angles C4'-P-C4' energy: -62.160 flat angles P-C4'-P energy: -55.427 tors. eta vs tors. theta energy: -47.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -540.960225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.960225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.960225 (E_RNA) where: Base-Base interactions energy: -286.254 where: short stacking energy: -144.383 Base-Backbone interact. energy: -0.339 local terms energy: -254.367329 where: bonds (distance) C4'-P energy: -62.137 bonds (distance) P-C4' energy: -72.068 flat angles C4'-P-C4' energy: -63.576 flat angles P-C4'-P energy: -40.652 tors. eta vs tors. theta energy: -15.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -453.837864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.837864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.837864 (E_RNA) where: Base-Base interactions energy: -228.167 where: short stacking energy: -121.905 Base-Backbone interact. energy: -1.188 local terms energy: -224.482376 where: bonds (distance) C4'-P energy: -62.570 bonds (distance) P-C4' energy: -75.388 flat angles C4'-P-C4' energy: -56.979 flat angles P-C4'-P energy: -30.650 tors. eta vs tors. theta energy: 1.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1408.445684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.445684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.445684 (E_RNA) where: Base-Base interactions energy: -970.399 where: short stacking energy: -445.618 Base-Backbone interact. energy: 2.248 local terms energy: -440.294490 where: bonds (distance) C4'-P energy: -66.877 bonds (distance) P-C4' energy: -83.210 flat angles C4'-P-C4' energy: -88.629 flat angles P-C4'-P energy: -69.520 tors. eta vs tors. theta energy: -132.058 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: 2, replica: 10 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1401.204675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.204675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.204675 (E_RNA) where: Base-Base interactions energy: -969.911 where: short stacking energy: -415.817 Base-Backbone interact. energy: -1.523 local terms energy: -429.770666 where: bonds (distance) C4'-P energy: -74.822 bonds (distance) P-C4' energy: -77.113 flat angles C4'-P-C4' energy: -87.741 flat angles P-C4'-P energy: -68.514 tors. eta vs tors. theta energy: -121.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1283.909010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.909010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.909010 (E_RNA) where: Base-Base interactions energy: -867.955 where: short stacking energy: -367.976 Base-Backbone interact. energy: 0.117 local terms energy: -416.071606 where: bonds (distance) C4'-P energy: -81.875 bonds (distance) P-C4' energy: -80.214 flat angles C4'-P-C4' energy: -81.465 flat angles P-C4'-P energy: -64.516 tors. eta vs tors. theta energy: -108.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1247.882625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.882625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.882625 (E_RNA) where: Base-Base interactions energy: -876.032 where: short stacking energy: -372.236 Base-Backbone interact. energy: -2.319 local terms energy: -369.531680 where: bonds (distance) C4'-P energy: -74.216 bonds (distance) P-C4' energy: -65.602 flat angles C4'-P-C4' energy: -75.340 flat angles P-C4'-P energy: -44.345 tors. eta vs tors. theta energy: -110.029 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: 8 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1194.459504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.459504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.459504 (E_RNA) where: Base-Base interactions energy: -819.969 where: short stacking energy: -358.706 Base-Backbone interact. energy: -0.809 local terms energy: -373.681564 where: bonds (distance) C4'-P energy: -66.074 bonds (distance) P-C4' energy: -80.117 flat angles C4'-P-C4' energy: -78.946 flat angles P-C4'-P energy: -47.966 tors. eta vs tors. theta energy: -100.579 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: 6, replica: 4 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1094.808011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.808011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.808011 (E_RNA) where: Base-Base interactions energy: -738.625 where: short stacking energy: -332.649 Base-Backbone interact. energy: 0.011 local terms energy: -356.194463 where: bonds (distance) C4'-P energy: -70.617 bonds (distance) P-C4' energy: -64.360 flat angles C4'-P-C4' energy: -81.891 flat angles P-C4'-P energy: -58.329 tors. eta vs tors. theta energy: -80.998 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: 7, replica: 7 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -961.787914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.787914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.787914 (E_RNA) where: Base-Base interactions energy: -638.135 where: short stacking energy: -279.277 Base-Backbone interact. energy: -1.433 local terms energy: -322.220361 where: bonds (distance) C4'-P energy: -52.738 bonds (distance) P-C4' energy: -74.517 flat angles C4'-P-C4' energy: -74.156 flat angles P-C4'-P energy: -52.766 tors. eta vs tors. theta energy: -68.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -905.844315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.844315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.844315 (E_RNA) where: Base-Base interactions energy: -589.592 where: short stacking energy: -256.099 Base-Backbone interact. energy: -2.703 local terms energy: -313.549523 where: bonds (distance) C4'-P energy: -59.761 bonds (distance) P-C4' energy: -69.770 flat angles C4'-P-C4' energy: -68.904 flat angles P-C4'-P energy: -52.174 tors. eta vs tors. theta energy: -62.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -558.616866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.616866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.616866 (E_RNA) where: Base-Base interactions energy: -305.079 where: short stacking energy: -167.419 Base-Backbone interact. energy: -1.523 local terms energy: -252.014391 where: bonds (distance) C4'-P energy: -45.626 bonds (distance) P-C4' energy: -68.121 flat angles C4'-P-C4' energy: -75.605 flat angles P-C4'-P energy: -39.817 tors. eta vs tors. theta energy: -22.846 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: 2 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -445.974384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.974384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.974384 (E_RNA) where: Base-Base interactions energy: -240.387 where: short stacking energy: -122.866 Base-Backbone interact. energy: 0.414 local terms energy: -206.001289 where: bonds (distance) C4'-P energy: -66.233 bonds (distance) P-C4' energy: -58.457 flat angles C4'-P-C4' energy: -51.712 flat angles P-C4'-P energy: -28.618 tors. eta vs tors. theta energy: -0.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1420.861649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.861649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.861649 (E_RNA) where: Base-Base interactions energy: -983.579 where: short stacking energy: -399.265 Base-Backbone interact. energy: 1.150 local terms energy: -438.431950 where: bonds (distance) C4'-P energy: -82.555 bonds (distance) P-C4' energy: -75.641 flat angles C4'-P-C4' energy: -93.730 flat angles P-C4'-P energy: -66.902 tors. eta vs tors. theta energy: -119.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1385.959312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.959312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.959312 (E_RNA) where: Base-Base interactions energy: -959.492 where: short stacking energy: -435.720 Base-Backbone interact. energy: 0.929 local terms energy: -427.396092 where: bonds (distance) C4'-P energy: -66.192 bonds (distance) P-C4' energy: -81.502 flat angles C4'-P-C4' energy: -87.882 flat angles P-C4'-P energy: -59.558 tors. eta vs tors. theta energy: -132.262 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: 3 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1289.137726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.137726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.137726 (E_RNA) where: Base-Base interactions energy: -860.933 where: short stacking energy: -377.963 Base-Backbone interact. energy: -2.476 local terms energy: -425.728805 where: bonds (distance) C4'-P energy: -75.428 bonds (distance) P-C4' energy: -83.210 flat angles C4'-P-C4' energy: -87.034 flat angles P-C4'-P energy: -62.955 tors. eta vs tors. theta energy: -117.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1203.176739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.176739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.176739 (E_RNA) where: Base-Base interactions energy: -814.924 where: short stacking energy: -364.555 Base-Backbone interact. energy: -1.560 local terms energy: -386.692324 where: bonds (distance) C4'-P energy: -69.243 bonds (distance) P-C4' energy: -74.420 flat angles C4'-P-C4' energy: -82.317 flat angles P-C4'-P energy: -56.052 tors. eta vs tors. theta energy: -104.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1203.016360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.016360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.016360 (E_RNA) where: Base-Base interactions energy: -817.145 where: short stacking energy: -371.059 Base-Backbone interact. energy: 0.578 local terms energy: -386.449597 where: bonds (distance) C4'-P energy: -68.785 bonds (distance) P-C4' energy: -77.745 flat angles C4'-P-C4' energy: -88.012 flat angles P-C4'-P energy: -49.776 tors. eta vs tors. theta energy: -102.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1092.145861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.145861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.145861 (E_RNA) where: Base-Base interactions energy: -717.203 where: short stacking energy: -331.840 Base-Backbone interact. energy: -2.082 local terms energy: -372.860479 where: bonds (distance) C4'-P energy: -72.941 bonds (distance) P-C4' energy: -79.327 flat angles C4'-P-C4' energy: -80.184 flat angles P-C4'-P energy: -50.783 tors. eta vs tors. theta energy: -89.625 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: 206 Temperature: 1.200000 Total energy: -948.617650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.617650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.617650 (E_RNA) where: Base-Base interactions energy: -622.828 where: short stacking energy: -282.159 Base-Backbone interact. energy: 0.595 local terms energy: -326.384626 where: bonds (distance) C4'-P energy: -69.642 bonds (distance) P-C4' energy: -80.042 flat angles C4'-P-C4' energy: -72.960 flat angles P-C4'-P energy: -35.792 tors. eta vs tors. theta energy: -67.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -905.211485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.211485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.211485 (E_RNA) where: Base-Base interactions energy: -597.574 where: short stacking energy: -254.127 Base-Backbone interact. energy: 4.458 local terms energy: -312.095810 where: bonds (distance) C4'-P energy: -60.353 bonds (distance) P-C4' energy: -69.392 flat angles C4'-P-C4' energy: -64.562 flat angles P-C4'-P energy: -49.753 tors. eta vs tors. theta energy: -68.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -491.654258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.654258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.654258 (E_RNA) where: Base-Base interactions energy: -267.768 where: short stacking energy: -155.076 Base-Backbone interact. energy: 2.704 local terms energy: -226.590935 where: bonds (distance) C4'-P energy: -70.702 bonds (distance) P-C4' energy: -68.094 flat angles C4'-P-C4' energy: -53.389 flat angles P-C4'-P energy: -37.268 tors. eta vs tors. theta energy: 2.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -588.371044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.371044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.371044 (E_RNA) where: Base-Base interactions energy: -354.484 where: short stacking energy: -178.456 Base-Backbone interact. energy: 1.360 local terms energy: -235.246535 where: bonds (distance) C4'-P energy: -64.955 bonds (distance) P-C4' energy: -63.651 flat angles C4'-P-C4' energy: -57.010 flat angles P-C4'-P energy: -38.271 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: 1, replica: 10 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1416.153105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.153105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.153105 (E_RNA) where: Base-Base interactions energy: -987.353 where: short stacking energy: -406.888 Base-Backbone interact. energy: -2.096 local terms energy: -426.704601 where: bonds (distance) C4'-P energy: -65.747 bonds (distance) P-C4' energy: -82.327 flat angles C4'-P-C4' energy: -89.724 flat angles P-C4'-P energy: -67.709 tors. eta vs tors. theta energy: -121.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1416.580472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.580472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.580472 (E_RNA) where: Base-Base interactions energy: -971.436 where: short stacking energy: -449.163 Base-Backbone interact. energy: -1.411 local terms energy: -443.733919 where: bonds (distance) C4'-P energy: -76.948 bonds (distance) P-C4' energy: -81.662 flat angles C4'-P-C4' energy: -89.357 flat angles P-C4'-P energy: -62.264 tors. eta vs tors. theta energy: -133.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1288.848339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.848339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.848339 (E_RNA) where: Base-Base interactions energy: -878.853 where: short stacking energy: -392.156 Base-Backbone interact. energy: -1.825 local terms energy: -408.170169 where: bonds (distance) C4'-P energy: -80.036 bonds (distance) P-C4' energy: -69.958 flat angles C4'-P-C4' energy: -87.698 flat angles P-C4'-P energy: -60.857 tors. eta vs tors. theta energy: -109.622 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: 8 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1241.585709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.585709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.585709 (E_RNA) where: Base-Base interactions energy: -844.910 where: short stacking energy: -368.932 Base-Backbone interact. energy: -1.930 local terms energy: -394.745917 where: bonds (distance) C4'-P energy: -67.776 bonds (distance) P-C4' energy: -77.299 flat angles C4'-P-C4' energy: -86.212 flat angles P-C4'-P energy: -54.462 tors. eta vs tors. theta energy: -108.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1177.290543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.290543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.290543 (E_RNA) where: Base-Base interactions energy: -796.517 where: short stacking energy: -356.199 Base-Backbone interact. energy: 0.291 local terms energy: -381.064725 where: bonds (distance) C4'-P energy: -73.093 bonds (distance) P-C4' energy: -68.711 flat angles C4'-P-C4' energy: -84.397 flat angles P-C4'-P energy: -46.766 tors. eta vs tors. theta energy: -108.097 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: 4 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1102.878556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.878556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.878556 (E_RNA) where: Base-Base interactions energy: -756.037 where: short stacking energy: -332.069 Base-Backbone interact. energy: -1.687 local terms energy: -345.154031 where: bonds (distance) C4'-P energy: -52.702 bonds (distance) P-C4' energy: -76.967 flat angles C4'-P-C4' energy: -77.927 flat angles P-C4'-P energy: -53.109 tors. eta vs tors. theta energy: -84.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -933.392111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.392111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.392111 (E_RNA) where: Base-Base interactions energy: -609.259 where: short stacking energy: -245.412 Base-Backbone interact. energy: 0.333 local terms energy: -324.465783 where: bonds (distance) C4'-P energy: -65.031 bonds (distance) P-C4' energy: -67.663 flat angles C4'-P-C4' energy: -79.932 flat angles P-C4'-P energy: -48.123 tors. eta vs tors. theta energy: -63.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -885.836894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.836894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.836894 (E_RNA) where: Base-Base interactions energy: -576.509 where: short stacking energy: -260.273 Base-Backbone interact. energy: -1.851 local terms energy: -307.476084 where: bonds (distance) C4'-P energy: -83.121 bonds (distance) P-C4' energy: -64.002 flat angles C4'-P-C4' energy: -65.350 flat angles P-C4'-P energy: -40.729 tors. eta vs tors. theta energy: -54.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -504.601114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.601114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.601114 (E_RNA) where: Base-Base interactions energy: -285.075 where: short stacking energy: -171.456 Base-Backbone interact. energy: 0.031 local terms energy: -219.556788 where: bonds (distance) C4'-P energy: -62.008 bonds (distance) P-C4' energy: -60.881 flat angles C4'-P-C4' energy: -58.122 flat angles P-C4'-P energy: -28.854 tors. eta vs tors. theta energy: -9.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -514.452436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.452436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.452436 (E_RNA) where: Base-Base interactions energy: -278.062 where: short stacking energy: -154.894 Base-Backbone interact. energy: -1.452 local terms energy: -234.938827 where: bonds (distance) C4'-P energy: -55.641 bonds (distance) P-C4' energy: -74.352 flat angles C4'-P-C4' energy: -59.195 flat angles P-C4'-P energy: -29.002 tors. eta vs tors. theta energy: -16.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1396.973188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.973188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.973188 (E_RNA) where: Base-Base interactions energy: -963.217 where: short stacking energy: -410.002 Base-Backbone interact. energy: -1.791 local terms energy: -431.964291 where: bonds (distance) C4'-P energy: -77.479 bonds (distance) P-C4' energy: -82.937 flat angles C4'-P-C4' energy: -94.561 flat angles P-C4'-P energy: -60.861 tors. eta vs tors. theta energy: -116.127 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: 9 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1390.441013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.441013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.441013 (E_RNA) where: Base-Base interactions energy: -957.864 where: short stacking energy: -427.321 Base-Backbone interact. energy: -0.842 local terms energy: -431.735460 where: bonds (distance) C4'-P energy: -75.106 bonds (distance) P-C4' energy: -85.293 flat angles C4'-P-C4' energy: -84.700 flat angles P-C4'-P energy: -57.116 tors. eta vs tors. theta energy: -129.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1291.030971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.030971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.030971 (E_RNA) where: Base-Base interactions energy: -887.853 where: short stacking energy: -368.281 Base-Backbone interact. energy: -2.412 local terms energy: -400.765679 where: bonds (distance) C4'-P energy: -68.332 bonds (distance) P-C4' energy: -79.137 flat angles C4'-P-C4' energy: -84.599 flat angles P-C4'-P energy: -58.397 tors. eta vs tors. theta energy: -110.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1279.823352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.823352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.823352 (E_RNA) where: Base-Base interactions energy: -896.819 where: short stacking energy: -367.785 Base-Backbone interact. energy: -1.500 local terms energy: -381.504439 where: bonds (distance) C4'-P energy: -65.784 bonds (distance) P-C4' energy: -75.187 flat angles C4'-P-C4' energy: -84.224 flat angles P-C4'-P energy: -50.196 tors. eta vs tors. theta energy: -106.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1203.897562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.897562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.897562 (E_RNA) where: Base-Base interactions energy: -824.587 where: short stacking energy: -362.543 Base-Backbone interact. energy: -0.698 local terms energy: -378.612410 where: bonds (distance) C4'-P energy: -63.835 bonds (distance) P-C4' energy: -77.040 flat angles C4'-P-C4' energy: -72.345 flat angles P-C4'-P energy: -58.936 tors. eta vs tors. theta energy: -106.456 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: 4 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1082.880191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.880191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.880191 (E_RNA) where: Base-Base interactions energy: -734.155 where: short stacking energy: -332.221 Base-Backbone interact. energy: 6.940 local terms energy: -355.664704 where: bonds (distance) C4'-P energy: -69.834 bonds (distance) P-C4' energy: -80.458 flat angles C4'-P-C4' energy: -72.734 flat angles P-C4'-P energy: -49.782 tors. eta vs tors. theta energy: -82.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -973.681999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.681999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.681999 (E_RNA) where: Base-Base interactions energy: -644.085 where: short stacking energy: -296.490 Base-Backbone interact. energy: -2.694 local terms energy: -326.903050 where: bonds (distance) C4'-P energy: -63.154 bonds (distance) P-C4' energy: -65.136 flat angles C4'-P-C4' energy: -80.165 flat angles P-C4'-P energy: -41.988 tors. eta vs tors. theta energy: -76.460 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: 5 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -853.090411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.090411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.090411 (E_RNA) where: Base-Base interactions energy: -556.618 where: short stacking energy: -238.828 Base-Backbone interact. energy: 0.689 local terms energy: -297.161960 where: bonds (distance) C4'-P energy: -72.790 bonds (distance) P-C4' energy: -80.792 flat angles C4'-P-C4' energy: -70.958 flat angles P-C4'-P energy: -32.698 tors. eta vs tors. theta energy: -39.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -598.643040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.643040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.643040 (E_RNA) where: Base-Base interactions energy: -349.159 where: short stacking energy: -194.823 Base-Backbone interact. energy: 5.596 local terms energy: -255.080304 where: bonds (distance) C4'-P energy: -72.564 bonds (distance) P-C4' energy: -63.164 flat angles C4'-P-C4' energy: -51.848 flat angles P-C4'-P energy: -41.480 tors. eta vs tors. theta energy: -26.024 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: 2 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -470.827993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.827993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.827993 (E_RNA) where: Base-Base interactions energy: -247.874 where: short stacking energy: -150.363 Base-Backbone interact. energy: 2.668 local terms energy: -225.622293 where: bonds (distance) C4'-P energy: -57.599 bonds (distance) P-C4' energy: -76.035 flat angles C4'-P-C4' energy: -49.533 flat angles P-C4'-P energy: -39.581 tors. eta vs tors. theta energy: -2.874 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: 10 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1402.584271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.584271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.584271 (E_RNA) where: Base-Base interactions energy: -984.322 where: short stacking energy: -414.045 Base-Backbone interact. energy: -1.618 local terms energy: -416.644132 where: bonds (distance) C4'-P energy: -76.600 bonds (distance) P-C4' energy: -66.404 flat angles C4'-P-C4' energy: -86.349 flat angles P-C4'-P energy: -62.374 tors. eta vs tors. theta energy: -124.917 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: 9 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1381.004597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.004597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.004597 (E_RNA) where: Base-Base interactions energy: -957.311 where: short stacking energy: -413.651 Base-Backbone interact. energy: -1.278 local terms energy: -422.415144 where: bonds (distance) C4'-P energy: -79.613 bonds (distance) P-C4' energy: -80.699 flat angles C4'-P-C4' energy: -91.805 flat angles P-C4'-P energy: -50.462 tors. eta vs tors. theta energy: -119.835 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: 3 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1294.229359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.229359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.229359 (E_RNA) where: Base-Base interactions energy: -890.394 where: short stacking energy: -387.467 Base-Backbone interact. energy: -2.314 local terms energy: -401.521432 where: bonds (distance) C4'-P energy: -83.361 bonds (distance) P-C4' energy: -68.483 flat angles C4'-P-C4' energy: -87.265 flat angles P-C4'-P energy: -55.310 tors. eta vs tors. theta energy: -107.102 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: 8 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1276.743013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.743013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.743013 (E_RNA) where: Base-Base interactions energy: -873.111 where: short stacking energy: -361.530 Base-Backbone interact. energy: -2.365 local terms energy: -401.267324 where: bonds (distance) C4'-P energy: -75.895 bonds (distance) P-C4' energy: -86.320 flat angles C4'-P-C4' energy: -80.860 flat angles P-C4'-P energy: -52.543 tors. eta vs tors. theta energy: -105.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1215.125710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.125710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.125710 (E_RNA) where: Base-Base interactions energy: -832.081 where: short stacking energy: -356.008 Base-Backbone interact. energy: -1.454 local terms energy: -381.590804 where: bonds (distance) C4'-P energy: -62.396 bonds (distance) P-C4' energy: -83.187 flat angles C4'-P-C4' energy: -76.518 flat angles P-C4'-P energy: -54.430 tors. eta vs tors. theta energy: -105.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1085.255076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.255076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.255076 (E_RNA) where: Base-Base interactions energy: -734.615 where: short stacking energy: -306.220 Base-Backbone interact. energy: -1.751 local terms energy: -348.889127 where: bonds (distance) C4'-P energy: -69.860 bonds (distance) P-C4' energy: -69.579 flat angles C4'-P-C4' energy: -77.900 flat angles P-C4'-P energy: -50.035 tors. eta vs tors. theta energy: -81.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -928.747221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.747221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.747221 (E_RNA) where: Base-Base interactions energy: -613.967 where: short stacking energy: -257.746 Base-Backbone interact. energy: -0.530 local terms energy: -314.249458 where: bonds (distance) C4'-P energy: -61.691 bonds (distance) P-C4' energy: -82.187 flat angles C4'-P-C4' energy: -70.505 flat angles P-C4'-P energy: -40.087 tors. eta vs tors. theta energy: -59.779 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: 8, replica: 5 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -870.093806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.093806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.093806 (E_RNA) where: Base-Base interactions energy: -564.810 where: short stacking energy: -245.657 Base-Backbone interact. energy: -0.955 local terms energy: -304.329123 where: bonds (distance) C4'-P energy: -75.141 bonds (distance) P-C4' energy: -71.541 flat angles C4'-P-C4' energy: -62.075 flat angles P-C4'-P energy: -40.000 tors. eta vs tors. theta energy: -55.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -651.240215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.240215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.240215 (E_RNA) where: Base-Base interactions energy: -385.323 where: short stacking energy: -199.608 Base-Backbone interact. energy: -1.460 local terms energy: -264.457158 where: bonds (distance) C4'-P energy: -55.583 bonds (distance) P-C4' energy: -60.438 flat angles C4'-P-C4' energy: -68.775 flat angles P-C4'-P energy: -41.160 tors. eta vs tors. theta energy: -38.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -463.920641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.920641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.920641 (E_RNA) where: Base-Base interactions energy: -236.957 where: short stacking energy: -131.993 Base-Backbone interact. energy: -1.082 local terms energy: -225.881666 where: bonds (distance) C4'-P energy: -70.515 bonds (distance) P-C4' energy: -67.034 flat angles C4'-P-C4' energy: -65.973 flat angles P-C4'-P energy: -22.377 tors. eta vs tors. theta energy: 0.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1406.062864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.062864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.062864 (E_RNA) where: Base-Base interactions energy: -977.207 where: short stacking energy: -411.667 Base-Backbone interact. energy: -1.257 local terms energy: -427.598672 where: bonds (distance) C4'-P energy: -76.310 bonds (distance) P-C4' energy: -83.281 flat angles C4'-P-C4' energy: -94.448 flat angles P-C4'-P energy: -55.539 tors. eta vs tors. theta energy: -118.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1355.610190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.610190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.610190 (E_RNA) where: Base-Base interactions energy: -923.891 where: short stacking energy: -411.819 Base-Backbone interact. energy: -1.976 local terms energy: -429.742883 where: bonds (distance) C4'-P energy: -74.604 bonds (distance) P-C4' energy: -71.921 flat angles C4'-P-C4' energy: -91.876 flat angles P-C4'-P energy: -70.426 tors. eta vs tors. theta energy: -120.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1280.966331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.966331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.966331 (E_RNA) where: Base-Base interactions energy: -896.244 where: short stacking energy: -372.630 Base-Backbone interact. energy: -3.628 local terms energy: -381.094181 where: bonds (distance) C4'-P energy: -65.637 bonds (distance) P-C4' energy: -78.818 flat angles C4'-P-C4' energy: -84.846 flat angles P-C4'-P energy: -39.850 tors. eta vs tors. theta energy: -111.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1267.000990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.000990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.000990 (E_RNA) where: Base-Base interactions energy: -862.176 where: short stacking energy: -363.760 Base-Backbone interact. energy: 4.176 local terms energy: -409.001204 where: bonds (distance) C4'-P energy: -70.481 bonds (distance) P-C4' energy: -76.475 flat angles C4'-P-C4' energy: -90.155 flat angles P-C4'-P energy: -59.107 tors. eta vs tors. theta energy: -112.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1216.377062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.377062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.377062 (E_RNA) where: Base-Base interactions energy: -812.241 where: short stacking energy: -365.518 Base-Backbone interact. energy: 0.018 local terms energy: -404.154487 where: bonds (distance) C4'-P energy: -67.346 bonds (distance) P-C4' energy: -90.029 flat angles C4'-P-C4' energy: -82.018 flat angles P-C4'-P energy: -60.384 tors. eta vs tors. theta energy: -104.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1104.537492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.537492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.537492 (E_RNA) where: Base-Base interactions energy: -771.419 where: short stacking energy: -338.783 Base-Backbone interact. energy: 0.998 local terms energy: -334.116556 where: bonds (distance) C4'-P energy: -61.769 bonds (distance) P-C4' energy: -64.692 flat angles C4'-P-C4' energy: -75.221 flat angles P-C4'-P energy: -44.055 tors. eta vs tors. theta energy: -88.380 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: 7 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -928.271787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.271787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.271787 (E_RNA) where: Base-Base interactions energy: -621.494 where: short stacking energy: -260.426 Base-Backbone interact. energy: 0.241 local terms energy: -307.018847 where: bonds (distance) C4'-P energy: -64.520 bonds (distance) P-C4' energy: -65.020 flat angles C4'-P-C4' energy: -77.462 flat angles P-C4'-P energy: -40.578 tors. eta vs tors. theta energy: -59.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -900.236362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.236362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.236362 (E_RNA) where: Base-Base interactions energy: -589.309 where: short stacking energy: -273.879 Base-Backbone interact. energy: -1.410 local terms energy: -309.517208 where: bonds (distance) C4'-P energy: -72.983 bonds (distance) P-C4' energy: -60.293 flat angles C4'-P-C4' energy: -64.933 flat angles P-C4'-P energy: -43.011 tors. eta vs tors. theta energy: -68.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -623.809961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.809961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.809961 (E_RNA) where: Base-Base interactions energy: -387.228 where: short stacking energy: -176.156 Base-Backbone interact. energy: 1.573 local terms energy: -238.155092 where: bonds (distance) C4'-P energy: -60.393 bonds (distance) P-C4' energy: -74.201 flat angles C4'-P-C4' energy: -52.188 flat angles P-C4'-P energy: -29.931 tors. eta vs tors. theta energy: -21.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -470.607329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.607329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.607329 (E_RNA) where: Base-Base interactions energy: -246.894 where: short stacking energy: -141.217 Base-Backbone interact. energy: 1.720 local terms energy: -225.433801 where: bonds (distance) C4'-P energy: -62.382 bonds (distance) P-C4' energy: -49.545 flat angles C4'-P-C4' energy: -70.045 flat angles P-C4'-P energy: -30.833 tors. eta vs tors. theta energy: -12.628 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: 10 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1383.604908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.604908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.604908 (E_RNA) where: Base-Base interactions energy: -953.790 where: short stacking energy: -391.480 Base-Backbone interact. energy: -1.400 local terms energy: -428.415841 where: bonds (distance) C4'-P energy: -72.753 bonds (distance) P-C4' energy: -84.102 flat angles C4'-P-C4' energy: -94.578 flat angles P-C4'-P energy: -59.245 tors. eta vs tors. theta energy: -117.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1339.310408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.310408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.310408 (E_RNA) where: Base-Base interactions energy: -923.297 where: short stacking energy: -420.236 Base-Backbone interact. energy: -0.149 local terms energy: -415.864442 where: bonds (distance) C4'-P energy: -67.680 bonds (distance) P-C4' energy: -68.733 flat angles C4'-P-C4' energy: -84.860 flat angles P-C4'-P energy: -66.439 tors. eta vs tors. theta energy: -128.153 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: 8 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1290.384266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.384266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.384266 (E_RNA) where: Base-Base interactions energy: -868.202 where: short stacking energy: -359.531 Base-Backbone interact. energy: -3.060 local terms energy: -419.122163 where: bonds (distance) C4'-P energy: -75.947 bonds (distance) P-C4' energy: -83.615 flat angles C4'-P-C4' energy: -84.128 flat angles P-C4'-P energy: -57.986 tors. eta vs tors. theta energy: -117.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1238.008955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.008955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.008955 (E_RNA) where: Base-Base interactions energy: -860.456 where: short stacking energy: -366.386 Base-Backbone interact. energy: -2.611 local terms energy: -374.942033 where: bonds (distance) C4'-P energy: -61.399 bonds (distance) P-C4' energy: -65.499 flat angles C4'-P-C4' energy: -95.252 flat angles P-C4'-P energy: -54.988 tors. eta vs tors. theta energy: -97.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1220.344647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.344647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.344647 (E_RNA) where: Base-Base interactions energy: -845.134 where: short stacking energy: -379.176 Base-Backbone interact. energy: -1.195 local terms energy: -374.015639 where: bonds (distance) C4'-P energy: -66.608 bonds (distance) P-C4' energy: -58.681 flat angles C4'-P-C4' energy: -84.788 flat angles P-C4'-P energy: -63.229 tors. eta vs tors. theta energy: -100.709 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: 4 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1102.050196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.050196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.050196 (E_RNA) where: Base-Base interactions energy: -747.545 where: short stacking energy: -338.287 Base-Backbone interact. energy: -0.346 local terms energy: -354.159634 where: bonds (distance) C4'-P energy: -69.884 bonds (distance) P-C4' energy: -74.004 flat angles C4'-P-C4' energy: -80.738 flat angles P-C4'-P energy: -46.739 tors. eta vs tors. theta energy: -82.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -950.480521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.480521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.480521 (E_RNA) where: Base-Base interactions energy: -652.731 where: short stacking energy: -276.984 Base-Backbone interact. energy: -2.888 local terms energy: -294.861629 where: bonds (distance) C4'-P energy: -59.871 bonds (distance) P-C4' energy: -63.878 flat angles C4'-P-C4' energy: -66.739 flat angles P-C4'-P energy: -48.606 tors. eta vs tors. theta energy: -55.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -855.141379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.141379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.141379 (E_RNA) where: Base-Base interactions energy: -567.323 where: short stacking energy: -235.639 Base-Backbone interact. energy: 1.226 local terms energy: -289.044206 where: bonds (distance) C4'-P energy: -64.343 bonds (distance) P-C4' energy: -63.523 flat angles C4'-P-C4' energy: -73.142 flat angles P-C4'-P energy: -41.518 tors. eta vs tors. theta energy: -46.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -649.900668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.900668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.900668 (E_RNA) where: Base-Base interactions energy: -408.337 where: short stacking energy: -195.743 Base-Backbone interact. energy: -0.190 local terms energy: -241.374104 where: bonds (distance) C4'-P energy: -58.740 bonds (distance) P-C4' energy: -68.010 flat angles C4'-P-C4' energy: -66.204 flat angles P-C4'-P energy: -34.635 tors. eta vs tors. theta energy: -13.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -458.555841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.555841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.555841 (E_RNA) where: Base-Base interactions energy: -226.194 where: short stacking energy: -119.547 Base-Backbone interact. energy: 1.821 local terms energy: -234.182714 where: bonds (distance) C4'-P energy: -65.433 bonds (distance) P-C4' energy: -80.214 flat angles C4'-P-C4' energy: -29.222 flat angles P-C4'-P energy: -50.867 tors. eta vs tors. theta energy: -8.448 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: 10 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1373.857419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.857419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.857419 (E_RNA) where: Base-Base interactions energy: -947.183 where: short stacking energy: -424.886 Base-Backbone interact. energy: -0.900 local terms energy: -425.773931 where: bonds (distance) C4'-P energy: -79.958 bonds (distance) P-C4' energy: -82.308 flat angles C4'-P-C4' energy: -92.202 flat angles P-C4'-P energy: -57.572 tors. eta vs tors. theta energy: -113.734 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: 9 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1341.111688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.111688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.111688 (E_RNA) where: Base-Base interactions energy: -905.769 where: short stacking energy: -418.155 Base-Backbone interact. energy: 2.085 local terms energy: -437.428275 where: bonds (distance) C4'-P energy: -79.755 bonds (distance) P-C4' energy: -70.357 flat angles C4'-P-C4' energy: -98.285 flat angles P-C4'-P energy: -61.664 tors. eta vs tors. theta energy: -127.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1291.800754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.800754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.800754 (E_RNA) where: Base-Base interactions energy: -893.170 where: short stacking energy: -360.205 Base-Backbone interact. energy: -1.234 local terms energy: -397.396690 where: bonds (distance) C4'-P energy: -73.778 bonds (distance) P-C4' energy: -70.500 flat angles C4'-P-C4' energy: -86.549 flat angles P-C4'-P energy: -59.047 tors. eta vs tors. theta energy: -107.523 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: 3 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1228.203438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.203438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.203438 (E_RNA) where: Base-Base interactions energy: -845.411 where: short stacking energy: -354.527 Base-Backbone interact. energy: -0.254 local terms energy: -382.538616 where: bonds (distance) C4'-P energy: -62.569 bonds (distance) P-C4' energy: -76.215 flat angles C4'-P-C4' energy: -81.383 flat angles P-C4'-P energy: -63.849 tors. eta vs tors. theta energy: -98.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1220.321234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.321234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.321234 (E_RNA) where: Base-Base interactions energy: -851.906 where: short stacking energy: -379.258 Base-Backbone interact. energy: -1.189 local terms energy: -367.225932 where: bonds (distance) C4'-P energy: -50.582 bonds (distance) P-C4' energy: -69.288 flat angles C4'-P-C4' energy: -77.751 flat angles P-C4'-P energy: -56.214 tors. eta vs tors. theta energy: -113.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1115.140724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.140724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.140724 (E_RNA) where: Base-Base interactions energy: -758.401 where: short stacking energy: -346.223 Base-Backbone interact. energy: -2.106 local terms energy: -354.633404 where: bonds (distance) C4'-P energy: -69.540 bonds (distance) P-C4' energy: -69.818 flat angles C4'-P-C4' energy: -75.309 flat angles P-C4'-P energy: -49.802 tors. eta vs tors. theta energy: -90.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -914.648559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.648559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.648559 (E_RNA) where: Base-Base interactions energy: -608.097 where: short stacking energy: -263.437 Base-Backbone interact. energy: -0.912 local terms energy: -305.639343 where: bonds (distance) C4'-P energy: -63.988 bonds (distance) P-C4' energy: -62.953 flat angles C4'-P-C4' energy: -78.772 flat angles P-C4'-P energy: -36.763 tors. eta vs tors. theta energy: -63.164 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: 5 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -853.948192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.948192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.948192 (E_RNA) where: Base-Base interactions energy: -580.830 where: short stacking energy: -222.685 Base-Backbone interact. energy: 4.787 local terms energy: -277.905883 where: bonds (distance) C4'-P energy: -67.969 bonds (distance) P-C4' energy: -69.106 flat angles C4'-P-C4' energy: -61.632 flat angles P-C4'-P energy: -34.035 tors. eta vs tors. theta energy: -45.163 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: 212 Temperature: 1.300000 Total energy: -598.025286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.025286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.025286 (E_RNA) where: Base-Base interactions energy: -353.503 where: short stacking energy: -177.373 Base-Backbone interact. energy: 1.429 local terms energy: -245.951658 where: bonds (distance) C4'-P energy: -63.459 bonds (distance) P-C4' energy: -48.898 flat angles C4'-P-C4' energy: -63.424 flat angles P-C4'-P energy: -39.975 tors. eta vs tors. theta energy: -30.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -470.255487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.255487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.255487 (E_RNA) where: Base-Base interactions energy: -249.077 where: short stacking energy: -146.484 Base-Backbone interact. energy: -0.327 local terms energy: -220.851872 where: bonds (distance) C4'-P energy: -65.199 bonds (distance) P-C4' energy: -76.255 flat angles C4'-P-C4' energy: -56.995 flat angles P-C4'-P energy: -14.191 tors. eta vs tors. theta energy: -8.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1382.651085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.651085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.651085 (E_RNA) where: Base-Base interactions energy: -964.405 where: short stacking energy: -415.266 Base-Backbone interact. energy: 0.748 local terms energy: -418.994334 where: bonds (distance) C4'-P energy: -69.774 bonds (distance) P-C4' energy: -75.303 flat angles C4'-P-C4' energy: -89.526 flat angles P-C4'-P energy: -64.414 tors. eta vs tors. theta energy: -119.977 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: 9 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1354.941722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.941722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.941722 (E_RNA) where: Base-Base interactions energy: -934.950 where: short stacking energy: -425.935 Base-Backbone interact. energy: 0.928 local terms energy: -420.919622 where: bonds (distance) C4'-P energy: -78.263 bonds (distance) P-C4' energy: -72.585 flat angles C4'-P-C4' energy: -91.194 flat angles P-C4'-P energy: -52.783 tors. eta vs tors. theta energy: -126.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1327.462762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.462762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.462762 (E_RNA) where: Base-Base interactions energy: -924.954 where: short stacking energy: -380.289 Base-Backbone interact. energy: -2.118 local terms energy: -400.390444 where: bonds (distance) C4'-P energy: -70.866 bonds (distance) P-C4' energy: -72.223 flat angles C4'-P-C4' energy: -86.952 flat angles P-C4'-P energy: -66.005 tors. eta vs tors. theta energy: -104.345 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: 3 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1187.518813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.518813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.518813 (E_RNA) where: Base-Base interactions energy: -840.278 where: short stacking energy: -361.560 Base-Backbone interact. energy: -0.530 local terms energy: -346.711074 where: bonds (distance) C4'-P energy: -55.304 bonds (distance) P-C4' energy: -73.825 flat angles C4'-P-C4' energy: -74.166 flat angles P-C4'-P energy: -53.709 tors. eta vs tors. theta energy: -89.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1141.600425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.600425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.600425 (E_RNA) where: Base-Base interactions energy: -757.758 where: short stacking energy: -329.462 Base-Backbone interact. energy: -1.189 local terms energy: -382.653588 where: bonds (distance) C4'-P energy: -73.538 bonds (distance) P-C4' energy: -71.113 flat angles C4'-P-C4' energy: -87.060 flat angles P-C4'-P energy: -53.379 tors. eta vs tors. theta energy: -97.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1111.564684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.564684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.564684 (E_RNA) where: Base-Base interactions energy: -749.978 where: short stacking energy: -319.723 Base-Backbone interact. energy: 1.459 local terms energy: -363.045265 where: bonds (distance) C4'-P energy: -67.586 bonds (distance) P-C4' energy: -74.819 flat angles C4'-P-C4' energy: -79.856 flat angles P-C4'-P energy: -50.090 tors. eta vs tors. theta energy: -90.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -948.836059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.836059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.836059 (E_RNA) where: Base-Base interactions energy: -629.728 where: short stacking energy: -286.117 Base-Backbone interact. energy: -0.211 local terms energy: -318.896671 where: bonds (distance) C4'-P energy: -71.100 bonds (distance) P-C4' energy: -63.380 flat angles C4'-P-C4' energy: -68.474 flat angles P-C4'-P energy: -41.228 tors. eta vs tors. theta energy: -74.714 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: 5 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -841.925207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.925207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.925207 (E_RNA) where: Base-Base interactions energy: -566.233 where: short stacking energy: -273.825 Base-Backbone interact. energy: 9.030 local terms energy: -284.721384 where: bonds (distance) C4'-P energy: -58.272 bonds (distance) P-C4' energy: -53.175 flat angles C4'-P-C4' energy: -75.433 flat angles P-C4'-P energy: -45.053 tors. eta vs tors. theta energy: -52.790 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: 213 Temperature: 1.300000 Total energy: -629.661983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.661983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.661983 (E_RNA) where: Base-Base interactions energy: -362.077 where: short stacking energy: -195.322 Base-Backbone interact. energy: -1.310 local terms energy: -266.275674 where: bonds (distance) C4'-P energy: -65.213 bonds (distance) P-C4' energy: -73.463 flat angles C4'-P-C4' energy: -64.927 flat angles P-C4'-P energy: -39.501 tors. eta vs tors. theta energy: -23.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -463.858104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.858104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.858104 (E_RNA) where: Base-Base interactions energy: -233.538 where: short stacking energy: -128.230 Base-Backbone interact. energy: -0.974 local terms energy: -229.346467 where: bonds (distance) C4'-P energy: -72.381 bonds (distance) P-C4' energy: -59.128 flat angles C4'-P-C4' energy: -63.849 flat angles P-C4'-P energy: -33.950 tors. eta vs tors. theta energy: -0.037 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: 1, replica: 10 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1397.660979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.660979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.660979 (E_RNA) where: Base-Base interactions energy: -967.027 where: short stacking energy: -425.436 Base-Backbone interact. energy: -1.324 local terms energy: -429.309493 where: bonds (distance) C4'-P energy: -71.115 bonds (distance) P-C4' energy: -82.867 flat angles C4'-P-C4' energy: -87.638 flat angles P-C4'-P energy: -62.510 tors. eta vs tors. theta energy: -125.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1360.728923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.728923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.728923 (E_RNA) where: Base-Base interactions energy: -939.102 where: short stacking energy: -398.012 Base-Backbone interact. energy: -1.107 local terms energy: -420.519911 where: bonds (distance) C4'-P energy: -74.352 bonds (distance) P-C4' energy: -73.926 flat angles C4'-P-C4' energy: -91.302 flat angles P-C4'-P energy: -64.693 tors. eta vs tors. theta energy: -116.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1321.243309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.243309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.243309 (E_RNA) where: Base-Base interactions energy: -913.961 where: short stacking energy: -382.789 Base-Backbone interact. energy: -2.403 local terms energy: -404.878478 where: bonds (distance) C4'-P energy: -75.429 bonds (distance) P-C4' energy: -76.100 flat angles C4'-P-C4' energy: -85.183 flat angles P-C4'-P energy: -50.463 tors. eta vs tors. theta energy: -117.704 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: 4, replica: 3 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1208.002538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.002538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.002538 (E_RNA) where: Base-Base interactions energy: -819.404 where: short stacking energy: -360.848 Base-Backbone interact. energy: -1.056 local terms energy: -387.541728 where: bonds (distance) C4'-P energy: -81.425 bonds (distance) P-C4' energy: -81.839 flat angles C4'-P-C4' energy: -81.831 flat angles P-C4'-P energy: -48.441 tors. eta vs tors. theta energy: -94.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1180.895716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.895716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.895716 (E_RNA) where: Base-Base interactions energy: -792.096 where: short stacking energy: -357.248 Base-Backbone interact. energy: 0.958 local terms energy: -389.757001 where: bonds (distance) C4'-P energy: -79.739 bonds (distance) P-C4' energy: -68.970 flat angles C4'-P-C4' energy: -85.204 flat angles P-C4'-P energy: -57.459 tors. eta vs tors. theta energy: -98.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1137.353750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.353750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.353750 (E_RNA) where: Base-Base interactions energy: -777.514 where: short stacking energy: -340.754 Base-Backbone interact. energy: 0.373 local terms energy: -360.212503 where: bonds (distance) C4'-P energy: -61.641 bonds (distance) P-C4' energy: -61.947 flat angles C4'-P-C4' energy: -81.013 flat angles P-C4'-P energy: -60.970 tors. eta vs tors. theta energy: -94.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -917.929550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.929550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.929550 (E_RNA) where: Base-Base interactions energy: -592.838 where: short stacking energy: -269.734 Base-Backbone interact. energy: -2.205 local terms energy: -322.886955 where: bonds (distance) C4'-P energy: -67.719 bonds (distance) P-C4' energy: -82.173 flat angles C4'-P-C4' energy: -71.416 flat angles P-C4'-P energy: -47.070 tors. eta vs tors. theta energy: -54.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -836.714730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.714730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.714730 (E_RNA) where: Base-Base interactions energy: -551.879 where: short stacking energy: -250.976 Base-Backbone interact. energy: -1.103 local terms energy: -283.732351 where: bonds (distance) C4'-P energy: -65.980 bonds (distance) P-C4' energy: -82.962 flat angles C4'-P-C4' energy: -58.396 flat angles P-C4'-P energy: -28.236 tors. eta vs tors. theta energy: -48.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -606.770743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.770743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.770743 (E_RNA) where: Base-Base interactions energy: -331.576 where: short stacking energy: -169.795 Base-Backbone interact. energy: -3.206 local terms energy: -271.988391 where: bonds (distance) C4'-P energy: -70.294 bonds (distance) P-C4' energy: -72.202 flat angles C4'-P-C4' energy: -63.303 flat angles P-C4'-P energy: -42.455 tors. eta vs tors. theta energy: -23.735 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: 2 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -464.919232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.919232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.919232 (E_RNA) where: Base-Base interactions energy: -242.557 where: short stacking energy: -133.135 Base-Backbone interact. energy: -1.672 local terms energy: -220.690739 where: bonds (distance) C4'-P energy: -54.199 bonds (distance) P-C4' energy: -67.079 flat angles C4'-P-C4' energy: -60.769 flat angles P-C4'-P energy: -27.116 tors. eta vs tors. theta energy: -11.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1384.647677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.647677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.647677 (E_RNA) where: Base-Base interactions energy: -964.847 where: short stacking energy: -416.327 Base-Backbone interact. energy: 0.974 local terms energy: -420.774868 where: bonds (distance) C4'-P energy: -73.097 bonds (distance) P-C4' energy: -74.514 flat angles C4'-P-C4' energy: -95.536 flat angles P-C4'-P energy: -53.824 tors. eta vs tors. theta energy: -123.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1410.270436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.270436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.270436 (E_RNA) where: Base-Base interactions energy: -988.731 where: short stacking energy: -419.027 Base-Backbone interact. energy: 0.140 local terms energy: -421.679484 where: bonds (distance) C4'-P energy: -74.013 bonds (distance) P-C4' energy: -77.039 flat angles C4'-P-C4' energy: -86.983 flat angles P-C4'-P energy: -61.437 tors. eta vs tors. theta energy: -122.208 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: 8 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1312.975076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.975076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.975076 (E_RNA) where: Base-Base interactions energy: -908.149 where: short stacking energy: -367.177 Base-Backbone interact. energy: -1.984 local terms energy: -402.841950 where: bonds (distance) C4'-P energy: -70.492 bonds (distance) P-C4' energy: -69.910 flat angles C4'-P-C4' energy: -87.079 flat angles P-C4'-P energy: -66.783 tors. eta vs tors. theta energy: -108.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1196.434087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.434087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.434087 (E_RNA) where: Base-Base interactions energy: -829.269 where: short stacking energy: -353.994 Base-Backbone interact. energy: 1.669 local terms energy: -368.833888 where: bonds (distance) C4'-P energy: -73.594 bonds (distance) P-C4' energy: -69.788 flat angles C4'-P-C4' energy: -85.697 flat angles P-C4'-P energy: -44.868 tors. eta vs tors. theta energy: -94.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1109.932751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.932751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.932751 (E_RNA) where: Base-Base interactions energy: -741.397 where: short stacking energy: -327.399 Base-Backbone interact. energy: -1.417 local terms energy: -367.118621 where: bonds (distance) C4'-P energy: -70.303 bonds (distance) P-C4' energy: -76.985 flat angles C4'-P-C4' energy: -84.049 flat angles P-C4'-P energy: -48.209 tors. eta vs tors. theta energy: -87.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1090.755846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.755846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.755846 (E_RNA) where: Base-Base interactions energy: -733.037 where: short stacking energy: -313.449 Base-Backbone interact. energy: -0.911 local terms energy: -356.807657 where: bonds (distance) C4'-P energy: -63.071 bonds (distance) P-C4' energy: -77.701 flat angles C4'-P-C4' energy: -81.317 flat angles P-C4'-P energy: -53.389 tors. eta vs tors. theta energy: -81.330 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: 5 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -896.830405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.830405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.830405 (E_RNA) where: Base-Base interactions energy: -600.793 where: short stacking energy: -249.394 Base-Backbone interact. energy: 0.916 local terms energy: -296.952684 where: bonds (distance) C4'-P energy: -54.373 bonds (distance) P-C4' energy: -75.640 flat angles C4'-P-C4' energy: -64.517 flat angles P-C4'-P energy: -51.983 tors. eta vs tors. theta energy: -50.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -844.483070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.483070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.483070 (E_RNA) where: Base-Base interactions energy: -567.947 where: short stacking energy: -246.716 Base-Backbone interact. energy: -1.005 local terms energy: -275.531106 where: bonds (distance) C4'-P energy: -64.173 bonds (distance) P-C4' energy: -58.754 flat angles C4'-P-C4' energy: -66.793 flat angles P-C4'-P energy: -36.507 tors. eta vs tors. theta energy: -49.305 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: 215 Temperature: 1.300000 Total energy: -636.039008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.039008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.039008 (E_RNA) where: Base-Base interactions energy: -386.031 where: short stacking energy: -173.602 Base-Backbone interact. energy: 0.477 local terms energy: -250.484800 where: bonds (distance) C4'-P energy: -61.946 bonds (distance) P-C4' energy: -66.784 flat angles C4'-P-C4' energy: -73.666 flat angles P-C4'-P energy: -21.226 tors. eta vs tors. theta energy: -26.863 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: 10, replica: 2 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -459.564415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.564415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.564415 (E_RNA) where: Base-Base interactions energy: -238.096 where: short stacking energy: -144.194 Base-Backbone interact. energy: 5.023 local terms energy: -226.491758 where: bonds (distance) C4'-P energy: -67.951 bonds (distance) P-C4' energy: -53.578 flat angles C4'-P-C4' energy: -57.150 flat angles P-C4'-P energy: -43.243 tors. eta vs tors. theta energy: -4.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1407.296766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.296766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.296766 (E_RNA) where: Base-Base interactions energy: -974.095 where: short stacking energy: -422.730 Base-Backbone interact. energy: -2.652 local terms energy: -430.549301 where: bonds (distance) C4'-P energy: -71.092 bonds (distance) P-C4' energy: -78.534 flat angles C4'-P-C4' energy: -95.653 flat angles P-C4'-P energy: -58.466 tors. eta vs tors. theta energy: -126.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1387.325961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.325961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.325961 (E_RNA) where: Base-Base interactions energy: -955.039 where: short stacking energy: -415.502 Base-Backbone interact. energy: -0.575 local terms energy: -431.712303 where: bonds (distance) C4'-P energy: -77.088 bonds (distance) P-C4' energy: -78.186 flat angles C4'-P-C4' energy: -87.457 flat angles P-C4'-P energy: -61.142 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: 3, replica: 8 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1315.229517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.229517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.229517 (E_RNA) where: Base-Base interactions energy: -878.491 where: short stacking energy: -370.863 Base-Backbone interact. energy: -4.784 local terms energy: -431.954160 where: bonds (distance) C4'-P energy: -83.727 bonds (distance) P-C4' energy: -85.608 flat angles C4'-P-C4' energy: -93.894 flat angles P-C4'-P energy: -53.329 tors. eta vs tors. theta energy: -115.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1239.076421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.076421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.076421 (E_RNA) where: Base-Base interactions energy: -875.775 where: short stacking energy: -360.048 Base-Backbone interact. energy: -1.265 local terms energy: -362.036862 where: bonds (distance) C4'-P energy: -72.530 bonds (distance) P-C4' energy: -62.513 flat angles C4'-P-C4' energy: -83.308 flat angles P-C4'-P energy: -47.362 tors. eta vs tors. theta energy: -96.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1123.996959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.996959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.996959 (E_RNA) where: Base-Base interactions energy: -757.698 where: short stacking energy: -322.289 Base-Backbone interact. energy: -1.830 local terms energy: -364.468484 where: bonds (distance) C4'-P energy: -75.136 bonds (distance) P-C4' energy: -69.571 flat angles C4'-P-C4' energy: -78.997 flat angles P-C4'-P energy: -49.523 tors. eta vs tors. theta energy: -91.241 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: 216 Temperature: 1.150000 Total energy: -1114.100031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.100031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.100031 (E_RNA) where: Base-Base interactions energy: -761.130 where: short stacking energy: -327.617 Base-Backbone interact. energy: 0.110 local terms energy: -353.080155 where: bonds (distance) C4'-P energy: -76.313 bonds (distance) P-C4' energy: -74.285 flat angles C4'-P-C4' energy: -66.864 flat angles P-C4'-P energy: -49.949 tors. eta vs tors. theta energy: -85.668 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: 5 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -887.773013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.773013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.773013 (E_RNA) where: Base-Base interactions energy: -558.156 where: short stacking energy: -253.696 Base-Backbone interact. energy: -1.956 local terms energy: -327.660554 where: bonds (distance) C4'-P energy: -76.097 bonds (distance) P-C4' energy: -74.266 flat angles C4'-P-C4' energy: -74.424 flat angles P-C4'-P energy: -46.673 tors. eta vs tors. theta energy: -56.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -837.207407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.207407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.207407 (E_RNA) where: Base-Base interactions energy: -556.869 where: short stacking energy: -252.476 Base-Backbone interact. energy: -0.973 local terms energy: -279.364582 where: bonds (distance) C4'-P energy: -55.394 bonds (distance) P-C4' energy: -79.183 flat angles C4'-P-C4' energy: -64.988 flat angles P-C4'-P energy: -32.737 tors. eta vs tors. theta energy: -47.063 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: 9, replica: 1 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -641.774911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.774911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.774911 (E_RNA) where: Base-Base interactions energy: -393.006 where: short stacking energy: -198.665 Base-Backbone interact. energy: -2.370 local terms energy: -246.398256 where: bonds (distance) C4'-P energy: -61.685 bonds (distance) P-C4' energy: -65.050 flat angles C4'-P-C4' energy: -62.337 flat angles P-C4'-P energy: -36.821 tors. eta vs tors. theta energy: -20.505 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: 2 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -470.780918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.780918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.780918 (E_RNA) where: Base-Base interactions energy: -244.796 where: short stacking energy: -172.379 Base-Backbone interact. energy: -1.172 local terms energy: -224.812831 where: bonds (distance) C4'-P energy: -62.581 bonds (distance) P-C4' energy: -67.314 flat angles C4'-P-C4' energy: -65.659 flat angles P-C4'-P energy: -20.883 tors. eta vs tors. theta energy: -8.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1418.437180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.437180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.437180 (E_RNA) where: Base-Base interactions energy: -974.645 where: short stacking energy: -429.920 Base-Backbone interact. energy: -0.293 local terms energy: -443.499474 where: bonds (distance) C4'-P energy: -77.096 bonds (distance) P-C4' energy: -80.124 flat angles C4'-P-C4' energy: -99.242 flat angles P-C4'-P energy: -57.757 tors. eta vs tors. theta energy: -129.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1387.247323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.247323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.247323 (E_RNA) where: Base-Base interactions energy: -953.744 where: short stacking energy: -394.393 Base-Backbone interact. energy: -1.731 local terms energy: -431.772041 where: bonds (distance) C4'-P energy: -76.554 bonds (distance) P-C4' energy: -79.771 flat angles C4'-P-C4' energy: -93.763 flat angles P-C4'-P energy: -59.758 tors. eta vs tors. theta energy: -121.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1320.252261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.252261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.252261 (E_RNA) where: Base-Base interactions energy: -916.023 where: short stacking energy: -380.258 Base-Backbone interact. energy: -0.476 local terms energy: -403.753108 where: bonds (distance) C4'-P energy: -68.717 bonds (distance) P-C4' energy: -78.257 flat angles C4'-P-C4' energy: -83.523 flat angles P-C4'-P energy: -57.120 tors. eta vs tors. theta energy: -116.136 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: 4, replica: 3 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1214.667671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.667671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.667671 (E_RNA) where: Base-Base interactions energy: -819.940 where: short stacking energy: -355.645 Base-Backbone interact. energy: -0.541 local terms energy: -394.187020 where: bonds (distance) C4'-P energy: -66.630 bonds (distance) P-C4' energy: -84.717 flat angles C4'-P-C4' energy: -87.768 flat angles P-C4'-P energy: -58.056 tors. eta vs tors. theta energy: -97.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1119.555568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.555568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.555568 (E_RNA) where: Base-Base interactions energy: -736.503 where: short stacking energy: -345.919 Base-Backbone interact. energy: 0.157 local terms energy: -383.209361 where: bonds (distance) C4'-P energy: -72.313 bonds (distance) P-C4' energy: -86.141 flat angles C4'-P-C4' energy: -77.123 flat angles P-C4'-P energy: -52.680 tors. eta vs tors. theta energy: -94.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1096.033134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.033134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.033134 (E_RNA) where: Base-Base interactions energy: -729.859 where: short stacking energy: -322.389 Base-Backbone interact. energy: -1.579 local terms energy: -364.594669 where: bonds (distance) C4'-P energy: -72.972 bonds (distance) P-C4' energy: -73.174 flat angles C4'-P-C4' energy: -70.459 flat angles P-C4'-P energy: -57.069 tors. eta vs tors. theta energy: -90.921 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: 5 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -924.246914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.246914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.246914 (E_RNA) where: Base-Base interactions energy: -604.553 where: short stacking energy: -275.817 Base-Backbone interact. energy: -1.556 local terms energy: -318.137842 where: bonds (distance) C4'-P energy: -69.613 bonds (distance) P-C4' energy: -60.251 flat angles C4'-P-C4' energy: -74.185 flat angles P-C4'-P energy: -46.027 tors. eta vs tors. theta energy: -68.062 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: 7 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -857.871506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.871506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.871506 (E_RNA) where: Base-Base interactions energy: -556.099 where: short stacking energy: -240.418 Base-Backbone interact. energy: -2.519 local terms energy: -299.253603 where: bonds (distance) C4'-P energy: -69.904 bonds (distance) P-C4' energy: -70.735 flat angles C4'-P-C4' energy: -64.853 flat angles P-C4'-P energy: -47.564 tors. eta vs tors. theta energy: -46.198 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: 9, replica: 1 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -601.269284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.269284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.269284 (E_RNA) where: Base-Base interactions energy: -352.187 where: short stacking energy: -186.101 Base-Backbone interact. energy: -0.201 local terms energy: -248.881149 where: bonds (distance) C4'-P energy: -68.088 bonds (distance) P-C4' energy: -67.869 flat angles C4'-P-C4' energy: -58.932 flat angles P-C4'-P energy: -33.718 tors. eta vs tors. theta energy: -20.275 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: 2 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -457.412968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.412968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.412968 (E_RNA) where: Base-Base interactions energy: -254.814 where: short stacking energy: -136.547 Base-Backbone interact. energy: -0.280 local terms energy: -202.319460 where: bonds (distance) C4'-P energy: -48.431 bonds (distance) P-C4' energy: -62.657 flat angles C4'-P-C4' energy: -48.445 flat angles P-C4'-P energy: -38.124 tors. eta vs tors. theta energy: -4.662 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: 9 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1417.112984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.112984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.112984 (E_RNA) where: Base-Base interactions energy: -979.524 where: short stacking energy: -423.383 Base-Backbone interact. energy: -2.719 local terms energy: -434.870325 where: bonds (distance) C4'-P energy: -87.675 bonds (distance) P-C4' energy: -76.708 flat angles C4'-P-C4' energy: -87.064 flat angles P-C4'-P energy: -60.893 tors. eta vs tors. theta energy: -122.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1365.942074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.942074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.942074 (E_RNA) where: Base-Base interactions energy: -952.724 where: short stacking energy: -399.864 Base-Backbone interact. energy: -0.376 local terms energy: -412.841736 where: bonds (distance) C4'-P energy: -71.609 bonds (distance) P-C4' energy: -71.855 flat angles C4'-P-C4' energy: -81.081 flat angles P-C4'-P energy: -67.638 tors. eta vs tors. theta energy: -120.658 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: 8 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1305.011564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.011564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.011564 (E_RNA) where: Base-Base interactions energy: -915.206 where: short stacking energy: -382.191 Base-Backbone interact. energy: 1.560 local terms energy: -391.366056 where: bonds (distance) C4'-P energy: -70.420 bonds (distance) P-C4' energy: -67.589 flat angles C4'-P-C4' energy: -87.268 flat angles P-C4'-P energy: -58.087 tors. eta vs tors. theta energy: -108.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1231.645462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.645462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.645462 (E_RNA) where: Base-Base interactions energy: -851.810 where: short stacking energy: -359.631 Base-Backbone interact. energy: -0.413 local terms energy: -379.422102 where: bonds (distance) C4'-P energy: -66.721 bonds (distance) P-C4' energy: -79.114 flat angles C4'-P-C4' energy: -76.045 flat angles P-C4'-P energy: -53.622 tors. eta vs tors. theta energy: -103.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1107.458158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.458158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.458158 (E_RNA) where: Base-Base interactions energy: -737.962 where: short stacking energy: -347.912 Base-Backbone interact. energy: -1.014 local terms energy: -368.482174 where: bonds (distance) C4'-P energy: -65.778 bonds (distance) P-C4' energy: -65.647 flat angles C4'-P-C4' energy: -73.718 flat angles P-C4'-P energy: -68.894 tors. eta vs tors. theta energy: -94.446 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: 4 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1096.252063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.252063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.252063 (E_RNA) where: Base-Base interactions energy: -717.862 where: short stacking energy: -324.385 Base-Backbone interact. energy: -1.161 local terms energy: -377.229176 where: bonds (distance) C4'-P energy: -87.062 bonds (distance) P-C4' energy: -56.642 flat angles C4'-P-C4' energy: -93.403 flat angles P-C4'-P energy: -53.701 tors. eta vs tors. theta energy: -86.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -904.423943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.423943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.423943 (E_RNA) where: Base-Base interactions energy: -609.811 where: short stacking energy: -283.792 Base-Backbone interact. energy: -0.005 local terms energy: -294.608268 where: bonds (distance) C4'-P energy: -48.186 bonds (distance) P-C4' energy: -69.213 flat angles C4'-P-C4' energy: -75.465 flat angles P-C4'-P energy: -47.469 tors. eta vs tors. theta energy: -54.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -816.628409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.628409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.628409 (E_RNA) where: Base-Base interactions energy: -548.750 where: short stacking energy: -240.913 Base-Backbone interact. energy: -0.682 local terms energy: -267.196004 where: bonds (distance) C4'-P energy: -61.344 bonds (distance) P-C4' energy: -66.852 flat angles C4'-P-C4' energy: -55.977 flat angles P-C4'-P energy: -32.490 tors. eta vs tors. theta energy: -50.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -597.640662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.640662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.640662 (E_RNA) where: Base-Base interactions energy: -355.436 where: short stacking energy: -180.071 Base-Backbone interact. energy: 0.956 local terms energy: -243.161381 where: bonds (distance) C4'-P energy: -65.307 bonds (distance) P-C4' energy: -57.062 flat angles C4'-P-C4' energy: -64.840 flat angles P-C4'-P energy: -41.859 tors. eta vs tors. theta energy: -14.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -505.128240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.128240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.128240 (E_RNA) where: Base-Base interactions energy: -257.402 where: short stacking energy: -136.785 Base-Backbone interact. energy: 0.308 local terms energy: -248.034636 where: bonds (distance) C4'-P energy: -59.857 bonds (distance) P-C4' energy: -66.930 flat angles C4'-P-C4' energy: -61.994 flat angles P-C4'-P energy: -41.368 tors. eta vs tors. theta energy: -17.885 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: 1, replica: 9 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1409.197669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.197669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.197669 (E_RNA) where: Base-Base interactions energy: -962.349 where: short stacking energy: -413.429 Base-Backbone interact. energy: -1.073 local terms energy: -445.776199 where: bonds (distance) C4'-P energy: -85.652 bonds (distance) P-C4' energy: -80.637 flat angles C4'-P-C4' energy: -83.983 flat angles P-C4'-P energy: -70.559 tors. eta vs tors. theta energy: -124.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1391.064943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.064943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.064943 (E_RNA) where: Base-Base interactions energy: -958.692 where: short stacking energy: -403.116 Base-Backbone interact. energy: -0.786 local terms energy: -431.586867 where: bonds (distance) C4'-P energy: -70.747 bonds (distance) P-C4' energy: -84.712 flat angles C4'-P-C4' energy: -89.152 flat angles P-C4'-P energy: -61.769 tors. eta vs tors. theta energy: -125.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1264.590641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.590641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.590641 (E_RNA) where: Base-Base interactions energy: -884.447 where: short stacking energy: -382.773 Base-Backbone interact. energy: -2.993 local terms energy: -377.150724 where: bonds (distance) C4'-P energy: -67.702 bonds (distance) P-C4' energy: -68.079 flat angles C4'-P-C4' energy: -86.202 flat angles P-C4'-P energy: -47.586 tors. eta vs tors. theta energy: -107.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1230.424740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.424740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.424740 (E_RNA) where: Base-Base interactions energy: -839.512 where: short stacking energy: -368.989 Base-Backbone interact. energy: 6.987 local terms energy: -397.899987 where: bonds (distance) C4'-P energy: -72.999 bonds (distance) P-C4' energy: -75.654 flat angles C4'-P-C4' energy: -80.661 flat angles P-C4'-P energy: -64.707 tors. eta vs tors. theta energy: -103.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1098.389707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.389707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.389707 (E_RNA) where: Base-Base interactions energy: -743.790 where: short stacking energy: -326.146 Base-Backbone interact. energy: -0.711 local terms energy: -353.889175 where: bonds (distance) C4'-P energy: -57.754 bonds (distance) P-C4' energy: -70.240 flat angles C4'-P-C4' energy: -84.294 flat angles P-C4'-P energy: -50.633 tors. eta vs tors. theta energy: -90.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1097.965985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.965985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.965985 (E_RNA) where: Base-Base interactions energy: -744.274 where: short stacking energy: -329.505 Base-Backbone interact. energy: -0.466 local terms energy: -353.226891 where: bonds (distance) C4'-P energy: -70.583 bonds (distance) P-C4' energy: -67.245 flat angles C4'-P-C4' energy: -77.866 flat angles P-C4'-P energy: -46.893 tors. eta vs tors. theta energy: -90.640 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: 5 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -922.158995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.158995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.158995 (E_RNA) where: Base-Base interactions energy: -620.069 where: short stacking energy: -281.710 Base-Backbone interact. energy: -0.056 local terms energy: -302.033968 where: bonds (distance) C4'-P energy: -55.658 bonds (distance) P-C4' energy: -58.908 flat angles C4'-P-C4' energy: -82.198 flat angles P-C4'-P energy: -42.193 tors. eta vs tors. theta energy: -63.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -829.935473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.935473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.935473 (E_RNA) where: Base-Base interactions energy: -533.889 where: short stacking energy: -258.146 Base-Backbone interact. energy: -1.052 local terms energy: -294.994557 where: bonds (distance) C4'-P energy: -40.240 bonds (distance) P-C4' energy: -71.422 flat angles C4'-P-C4' energy: -72.495 flat angles P-C4'-P energy: -53.246 tors. eta vs tors. theta energy: -57.593 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: 219 Temperature: 1.300000 Total energy: -568.713383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.713383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.713383 (E_RNA) where: Base-Base interactions energy: -310.539 where: short stacking energy: -165.686 Base-Backbone interact. energy: -2.296 local terms energy: -255.877890 where: bonds (distance) C4'-P energy: -63.130 bonds (distance) P-C4' energy: -69.129 flat angles C4'-P-C4' energy: -53.929 flat angles P-C4'-P energy: -46.710 tors. eta vs tors. theta energy: -22.980 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: 2 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -494.366709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.366709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.366709 (E_RNA) where: Base-Base interactions energy: -268.480 where: short stacking energy: -166.738 Base-Backbone interact. energy: 1.151 local terms energy: -227.037040 where: bonds (distance) C4'-P energy: -50.617 bonds (distance) P-C4' energy: -65.136 flat angles C4'-P-C4' energy: -63.628 flat angles P-C4'-P energy: -28.779 tors. eta vs tors. theta energy: -18.877 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: 9 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1416.060153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.060153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.060153 (E_RNA) where: Base-Base interactions energy: -970.250 where: short stacking energy: -424.080 Base-Backbone interact. energy: -1.263 local terms energy: -444.547550 where: bonds (distance) C4'-P energy: -74.530 bonds (distance) P-C4' energy: -85.178 flat angles C4'-P-C4' energy: -93.165 flat angles P-C4'-P energy: -65.849 tors. eta vs tors. theta energy: -125.825 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: 220 Temperature: 0.950000 Total energy: -1380.286507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.286507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.286507 (E_RNA) where: Base-Base interactions energy: -982.043 where: short stacking energy: -401.498 Base-Backbone interact. energy: -2.719 local terms energy: -395.524638 where: bonds (distance) C4'-P energy: -71.863 bonds (distance) P-C4' energy: -73.274 flat angles C4'-P-C4' energy: -85.518 flat angles P-C4'-P energy: -50.843 tors. eta vs tors. theta energy: -114.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1260.864143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.864143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.864143 (E_RNA) where: Base-Base interactions energy: -875.541 where: short stacking energy: -370.738 Base-Backbone interact. energy: -3.401 local terms energy: -381.922085 where: bonds (distance) C4'-P energy: -80.923 bonds (distance) P-C4' energy: -75.670 flat angles C4'-P-C4' energy: -85.963 flat angles P-C4'-P energy: -42.558 tors. eta vs tors. theta energy: -96.808 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: 3 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1200.012933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.012933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.012933 (E_RNA) where: Base-Base interactions energy: -822.811 where: short stacking energy: -335.753 Base-Backbone interact. energy: -1.363 local terms energy: -375.838239 where: bonds (distance) C4'-P energy: -71.536 bonds (distance) P-C4' energy: -80.992 flat angles C4'-P-C4' energy: -77.208 flat angles P-C4'-P energy: -61.900 tors. eta vs tors. theta energy: -84.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1112.226960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.226960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.226960 (E_RNA) where: Base-Base interactions energy: -748.773 where: short stacking energy: -321.515 Base-Backbone interact. energy: -2.450 local terms energy: -361.003767 where: bonds (distance) C4'-P energy: -64.711 bonds (distance) P-C4' energy: -76.351 flat angles C4'-P-C4' energy: -80.348 flat angles P-C4'-P energy: -51.670 tors. eta vs tors. theta energy: -87.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1101.523394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.523394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.523394 (E_RNA) where: Base-Base interactions energy: -746.029 where: short stacking energy: -337.467 Base-Backbone interact. energy: -0.808 local terms energy: -354.686457 where: bonds (distance) C4'-P energy: -67.814 bonds (distance) P-C4' energy: -77.412 flat angles C4'-P-C4' energy: -78.367 flat angles P-C4'-P energy: -46.644 tors. eta vs tors. theta energy: -84.451 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: 7, replica: 5 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -917.843113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.843113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.843113 (E_RNA) where: Base-Base interactions energy: -603.956 where: short stacking energy: -256.119 Base-Backbone interact. energy: 2.025 local terms energy: -315.912319 where: bonds (distance) C4'-P energy: -63.117 bonds (distance) P-C4' energy: -75.322 flat angles C4'-P-C4' energy: -78.499 flat angles P-C4'-P energy: -51.705 tors. eta vs tors. theta energy: -47.270 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: 7 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -794.663032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.663032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.663032 (E_RNA) where: Base-Base interactions energy: -501.022 where: short stacking energy: -233.716 Base-Backbone interact. energy: -1.487 local terms energy: -292.153649 where: bonds (distance) C4'-P energy: -72.661 bonds (distance) P-C4' energy: -71.673 flat angles C4'-P-C4' energy: -62.757 flat angles P-C4'-P energy: -35.686 tors. eta vs tors. theta energy: -49.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -616.512276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.512276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.512276 (E_RNA) where: Base-Base interactions energy: -350.372 where: short stacking energy: -181.871 Base-Backbone interact. energy: -0.756 local terms energy: -265.384460 where: bonds (distance) C4'-P energy: -63.967 bonds (distance) P-C4' energy: -74.975 flat angles C4'-P-C4' energy: -59.444 flat angles P-C4'-P energy: -40.889 tors. eta vs tors. theta energy: -26.109 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: 2 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -463.102171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.102171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.102171 (E_RNA) where: Base-Base interactions energy: -268.857 where: short stacking energy: -156.278 Base-Backbone interact. energy: 4.693 local terms energy: -198.938722 where: bonds (distance) C4'-P energy: -42.914 bonds (distance) P-C4' energy: -67.864 flat angles C4'-P-C4' energy: -64.432 flat angles P-C4'-P energy: -35.006 tors. eta vs tors. theta energy: 11.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1413.026656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.026656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.026656 (E_RNA) where: Base-Base interactions energy: -978.512 where: short stacking energy: -425.229 Base-Backbone interact. energy: -3.703 local terms energy: -430.811405 where: bonds (distance) C4'-P energy: -75.346 bonds (distance) P-C4' energy: -82.102 flat angles C4'-P-C4' energy: -83.583 flat angles P-C4'-P energy: -54.225 tors. eta vs tors. theta energy: -135.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1389.278934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.278934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.278934 (E_RNA) where: Base-Base interactions energy: -980.469 where: short stacking energy: -404.057 Base-Backbone interact. energy: -1.900 local terms energy: -406.909509 where: bonds (distance) C4'-P energy: -69.556 bonds (distance) P-C4' energy: -74.632 flat angles C4'-P-C4' energy: -92.325 flat angles P-C4'-P energy: -62.396 tors. eta vs tors. theta energy: -108.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1294.158027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.158027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.158027 (E_RNA) where: Base-Base interactions energy: -894.166 where: short stacking energy: -382.761 Base-Backbone interact. energy: -1.814 local terms energy: -398.178086 where: bonds (distance) C4'-P energy: -83.020 bonds (distance) P-C4' energy: -66.244 flat angles C4'-P-C4' energy: -85.705 flat angles P-C4'-P energy: -59.115 tors. eta vs tors. theta energy: -104.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1168.503284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.503284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.503284 (E_RNA) where: Base-Base interactions energy: -792.966 where: short stacking energy: -316.761 Base-Backbone interact. energy: 1.029 local terms energy: -376.566421 where: bonds (distance) C4'-P energy: -71.583 bonds (distance) P-C4' energy: -74.565 flat angles C4'-P-C4' energy: -79.769 flat angles P-C4'-P energy: -60.996 tors. eta vs tors. theta energy: -89.654 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: 6 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1119.185382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.185382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.185382 (E_RNA) where: Base-Base interactions energy: -761.406 where: short stacking energy: -331.303 Base-Backbone interact. energy: -0.006 local terms energy: -357.773416 where: bonds (distance) C4'-P energy: -71.799 bonds (distance) P-C4' energy: -69.128 flat angles C4'-P-C4' energy: -78.493 flat angles P-C4'-P energy: -53.087 tors. eta vs tors. theta energy: -85.266 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: 4 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1106.459698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.459698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.459698 (E_RNA) where: Base-Base interactions energy: -759.975 where: short stacking energy: -334.221 Base-Backbone interact. energy: 1.062 local terms energy: -347.545942 where: bonds (distance) C4'-P energy: -66.976 bonds (distance) P-C4' energy: -63.534 flat angles C4'-P-C4' energy: -72.891 flat angles P-C4'-P energy: -52.581 tors. eta vs tors. theta energy: -91.564 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: 7, replica: 5 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -907.741668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.741668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.741668 (E_RNA) where: Base-Base interactions energy: -586.906 where: short stacking energy: -257.481 Base-Backbone interact. energy: 1.403 local terms energy: -322.237901 where: bonds (distance) C4'-P energy: -67.259 bonds (distance) P-C4' energy: -74.030 flat angles C4'-P-C4' energy: -79.121 flat angles P-C4'-P energy: -43.466 tors. eta vs tors. theta energy: -58.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -829.306900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.306900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.306900 (E_RNA) where: Base-Base interactions energy: -558.940 where: short stacking energy: -236.813 Base-Backbone interact. energy: -0.065 local terms energy: -270.301580 where: bonds (distance) C4'-P energy: -66.530 bonds (distance) P-C4' energy: -70.911 flat angles C4'-P-C4' energy: -58.856 flat angles P-C4'-P energy: -28.141 tors. eta vs tors. theta energy: -45.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -613.082181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.082181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.082181 (E_RNA) where: Base-Base interactions energy: -364.576 where: short stacking energy: -163.368 Base-Backbone interact. energy: -2.550 local terms energy: -245.955946 where: bonds (distance) C4'-P energy: -69.807 bonds (distance) P-C4' energy: -49.464 flat angles C4'-P-C4' energy: -64.653 flat angles P-C4'-P energy: -41.968 tors. eta vs tors. theta energy: -20.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -461.748750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.748750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.748750 (E_RNA) where: Base-Base interactions energy: -260.409 where: short stacking energy: -160.161 Base-Backbone interact. energy: 3.952 local terms energy: -205.291385 where: bonds (distance) C4'-P energy: -64.317 bonds (distance) P-C4' energy: -54.591 flat angles C4'-P-C4' energy: -56.436 flat angles P-C4'-P energy: -18.527 tors. eta vs tors. theta energy: -11.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1402.946384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.946384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.946384 (E_RNA) where: Base-Base interactions energy: -959.430 where: short stacking energy: -428.229 Base-Backbone interact. energy: -1.475 local terms energy: -442.041598 where: bonds (distance) C4'-P energy: -75.221 bonds (distance) P-C4' energy: -77.266 flat angles C4'-P-C4' energy: -93.496 flat angles P-C4'-P energy: -67.798 tors. eta vs tors. theta energy: -128.260 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: 222 Temperature: 0.950000 Total energy: -1397.333980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.333980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.333980 (E_RNA) where: Base-Base interactions energy: -973.665 where: short stacking energy: -405.748 Base-Backbone interact. energy: -2.240 local terms energy: -421.428549 where: bonds (distance) C4'-P energy: -75.904 bonds (distance) P-C4' energy: -85.593 flat angles C4'-P-C4' energy: -89.773 flat angles P-C4'-P energy: -64.362 tors. eta vs tors. theta energy: -105.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1275.165348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.165348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.165348 (E_RNA) where: Base-Base interactions energy: -886.535 where: short stacking energy: -386.165 Base-Backbone interact. energy: -1.523 local terms energy: -387.107057 where: bonds (distance) C4'-P energy: -69.126 bonds (distance) P-C4' energy: -70.602 flat angles C4'-P-C4' energy: -84.261 flat angles P-C4'-P energy: -62.483 tors. eta vs tors. theta energy: -100.636 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: 3 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1184.569473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.569473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.569473 (E_RNA) where: Base-Base interactions energy: -802.773 where: short stacking energy: -339.876 Base-Backbone interact. energy: -2.673 local terms energy: -379.124223 where: bonds (distance) C4'-P energy: -75.159 bonds (distance) P-C4' energy: -73.387 flat angles C4'-P-C4' energy: -81.782 flat angles P-C4'-P energy: -64.130 tors. eta vs tors. theta energy: -84.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1116.346483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.346483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.346483 (E_RNA) where: Base-Base interactions energy: -757.669 where: short stacking energy: -324.854 Base-Backbone interact. energy: -1.978 local terms energy: -356.699165 where: bonds (distance) C4'-P energy: -62.957 bonds (distance) P-C4' energy: -77.563 flat angles C4'-P-C4' energy: -75.130 flat angles P-C4'-P energy: -59.548 tors. eta vs tors. theta energy: -81.501 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: 4 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1141.838760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.838760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.838760 (E_RNA) where: Base-Base interactions energy: -773.238 where: short stacking energy: -347.170 Base-Backbone interact. energy: -2.164 local terms energy: -366.436316 where: bonds (distance) C4'-P energy: -50.628 bonds (distance) P-C4' energy: -69.827 flat angles C4'-P-C4' energy: -87.216 flat angles P-C4'-P energy: -55.918 tors. eta vs tors. theta energy: -102.848 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: 222 Temperature: 1.200000 Total energy: -834.604179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.604179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.604179 (E_RNA) where: Base-Base interactions energy: -532.122 where: short stacking energy: -251.841 Base-Backbone interact. energy: 0.544 local terms energy: -303.026609 where: bonds (distance) C4'-P energy: -70.015 bonds (distance) P-C4' energy: -72.318 flat angles C4'-P-C4' energy: -65.938 flat angles P-C4'-P energy: -38.654 tors. eta vs tors. theta energy: -56.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -862.028083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.028083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.028083 (E_RNA) where: Base-Base interactions energy: -565.671 where: short stacking energy: -237.955 Base-Backbone interact. energy: -1.012 local terms energy: -295.344447 where: bonds (distance) C4'-P energy: -66.674 bonds (distance) P-C4' energy: -65.600 flat angles C4'-P-C4' energy: -78.073 flat angles P-C4'-P energy: -42.568 tors. eta vs tors. theta energy: -42.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -638.270493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.270493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.270493 (E_RNA) where: Base-Base interactions energy: -387.857 where: short stacking energy: -204.943 Base-Backbone interact. energy: -0.085 local terms energy: -250.328527 where: bonds (distance) C4'-P energy: -73.355 bonds (distance) P-C4' energy: -59.815 flat angles C4'-P-C4' energy: -51.905 flat angles P-C4'-P energy: -36.298 tors. eta vs tors. theta energy: -28.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -445.528807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.528807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.528807 (E_RNA) where: Base-Base interactions energy: -214.949 where: short stacking energy: -131.783 Base-Backbone interact. energy: -1.907 local terms energy: -228.672774 where: bonds (distance) C4'-P energy: -58.367 bonds (distance) P-C4' energy: -71.326 flat angles C4'-P-C4' energy: -72.196 flat angles P-C4'-P energy: -26.651 tors. eta vs tors. theta energy: -0.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1432.324796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.324796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.324796 (E_RNA) where: Base-Base interactions energy: -980.908 where: short stacking energy: -436.689 Base-Backbone interact. energy: 0.679 local terms energy: -452.096498 where: bonds (distance) C4'-P energy: -84.299 bonds (distance) P-C4' energy: -82.070 flat angles C4'-P-C4' energy: -94.982 flat angles P-C4'-P energy: -67.384 tors. eta vs tors. theta energy: -123.362 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: 10 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1408.596979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.596979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.596979 (E_RNA) where: Base-Base interactions energy: -991.934 where: short stacking energy: -410.047 Base-Backbone interact. energy: -2.678 local terms energy: -413.985174 where: bonds (distance) C4'-P energy: -73.988 bonds (distance) P-C4' energy: -82.480 flat angles C4'-P-C4' energy: -92.894 flat angles P-C4'-P energy: -54.141 tors. eta vs tors. theta energy: -110.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1294.956873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.956873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.956873 (E_RNA) where: Base-Base interactions energy: -890.898 where: short stacking energy: -361.380 Base-Backbone interact. energy: -1.792 local terms energy: -402.267738 where: bonds (distance) C4'-P energy: -78.872 bonds (distance) P-C4' energy: -80.155 flat angles C4'-P-C4' energy: -87.141 flat angles P-C4'-P energy: -53.577 tors. eta vs tors. theta energy: -102.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1222.340229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.340229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.340229 (E_RNA) where: Base-Base interactions energy: -848.322 where: short stacking energy: -365.852 Base-Backbone interact. energy: -0.608 local terms energy: -373.410415 where: bonds (distance) C4'-P energy: -77.234 bonds (distance) P-C4' energy: -67.450 flat angles C4'-P-C4' energy: -78.688 flat angles P-C4'-P energy: -46.546 tors. eta vs tors. theta energy: -103.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1107.075177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.075177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.075177 (E_RNA) where: Base-Base interactions energy: -745.083 where: short stacking energy: -320.018 Base-Backbone interact. energy: -0.566 local terms energy: -361.426799 where: bonds (distance) C4'-P energy: -67.877 bonds (distance) P-C4' energy: -74.941 flat angles C4'-P-C4' energy: -77.135 flat angles P-C4'-P energy: -57.256 tors. eta vs tors. theta energy: -84.218 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: 4 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1120.683665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.683665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.683665 (E_RNA) where: Base-Base interactions energy: -747.904 where: short stacking energy: -340.562 Base-Backbone interact. energy: -2.686 local terms energy: -370.094041 where: bonds (distance) C4'-P energy: -68.390 bonds (distance) P-C4' energy: -68.782 flat angles C4'-P-C4' energy: -94.277 flat angles P-C4'-P energy: -52.514 tors. eta vs tors. theta energy: -86.132 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: 7 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -872.584429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.584429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.584429 (E_RNA) where: Base-Base interactions energy: -571.137 where: short stacking energy: -243.970 Base-Backbone interact. energy: 1.522 local terms energy: -302.969463 where: bonds (distance) C4'-P energy: -42.827 bonds (distance) P-C4' energy: -75.151 flat angles C4'-P-C4' energy: -71.609 flat angles P-C4'-P energy: -57.284 tors. eta vs tors. theta energy: -56.099 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: 5 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -889.303533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.303533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.303533 (E_RNA) where: Base-Base interactions energy: -601.952 where: short stacking energy: -252.177 Base-Backbone interact. energy: 3.617 local terms energy: -290.967821 where: bonds (distance) C4'-P energy: -58.158 bonds (distance) P-C4' energy: -73.180 flat angles C4'-P-C4' energy: -68.158 flat angles P-C4'-P energy: -42.325 tors. eta vs tors. theta energy: -49.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -579.043440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.043440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.043440 (E_RNA) where: Base-Base interactions energy: -345.835 where: short stacking energy: -156.523 Base-Backbone interact. energy: 2.127 local terms energy: -235.336083 where: bonds (distance) C4'-P energy: -57.947 bonds (distance) P-C4' energy: -60.038 flat angles C4'-P-C4' energy: -58.988 flat angles P-C4'-P energy: -33.788 tors. eta vs tors. theta energy: -24.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -454.040711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.040711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.040711 (E_RNA) where: Base-Base interactions energy: -213.896 where: short stacking energy: -127.733 Base-Backbone interact. energy: 2.054 local terms energy: -242.198453 where: bonds (distance) C4'-P energy: -59.897 bonds (distance) P-C4' energy: -77.773 flat angles C4'-P-C4' energy: -70.713 flat angles P-C4'-P energy: -28.242 tors. eta vs tors. theta energy: -5.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1418.514772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.514772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.514772 (E_RNA) where: Base-Base interactions energy: -986.063 where: short stacking energy: -398.330 Base-Backbone interact. energy: 0.335 local terms energy: -432.786262 where: bonds (distance) C4'-P energy: -79.644 bonds (distance) P-C4' energy: -74.344 flat angles C4'-P-C4' energy: -96.051 flat angles P-C4'-P energy: -64.930 tors. eta vs tors. theta energy: -117.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1386.937630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.937630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.937630 (E_RNA) where: Base-Base interactions energy: -952.055 where: short stacking energy: -417.552 Base-Backbone interact. energy: -1.190 local terms energy: -433.692452 where: bonds (distance) C4'-P energy: -77.477 bonds (distance) P-C4' energy: -75.627 flat angles C4'-P-C4' energy: -88.529 flat angles P-C4'-P energy: -61.244 tors. eta vs tors. theta energy: -130.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1277.322791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.322791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.322791 (E_RNA) where: Base-Base interactions energy: -877.258 where: short stacking energy: -378.640 Base-Backbone interact. energy: -3.027 local terms energy: -397.037615 where: bonds (distance) C4'-P energy: -71.774 bonds (distance) P-C4' energy: -76.393 flat angles C4'-P-C4' energy: -76.416 flat angles P-C4'-P energy: -65.368 tors. eta vs tors. theta energy: -107.086 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: 8 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1197.613497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.613497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.613497 (E_RNA) where: Base-Base interactions energy: -819.955 where: short stacking energy: -350.957 Base-Backbone interact. energy: -2.072 local terms energy: -375.586954 where: bonds (distance) C4'-P energy: -77.749 bonds (distance) P-C4' energy: -85.141 flat angles C4'-P-C4' energy: -76.054 flat angles P-C4'-P energy: -47.243 tors. eta vs tors. theta energy: -89.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1102.892969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.892969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.892969 (E_RNA) where: Base-Base interactions energy: -743.815 where: short stacking energy: -327.905 Base-Backbone interact. energy: -0.403 local terms energy: -358.674479 where: bonds (distance) C4'-P energy: -72.402 bonds (distance) P-C4' energy: -69.521 flat angles C4'-P-C4' energy: -79.010 flat angles P-C4'-P energy: -46.445 tors. eta vs tors. theta energy: -91.297 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: 4 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1125.888004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.888004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.888004 (E_RNA) where: Base-Base interactions energy: -764.092 where: short stacking energy: -338.426 Base-Backbone interact. energy: 2.018 local terms energy: -363.813393 where: bonds (distance) C4'-P energy: -70.501 bonds (distance) P-C4' energy: -67.745 flat angles C4'-P-C4' energy: -82.100 flat angles P-C4'-P energy: -50.521 tors. eta vs tors. theta energy: -92.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -964.547728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.547728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.547728 (E_RNA) where: Base-Base interactions energy: -655.590 where: short stacking energy: -262.500 Base-Backbone interact. energy: -4.550 local terms energy: -304.408206 where: bonds (distance) C4'-P energy: -85.043 bonds (distance) P-C4' energy: -53.579 flat angles C4'-P-C4' energy: -63.746 flat angles P-C4'-P energy: -42.466 tors. eta vs tors. theta energy: -59.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -849.523847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.523847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.523847 (E_RNA) where: Base-Base interactions energy: -573.813 where: short stacking energy: -239.262 Base-Backbone interact. energy: -3.698 local terms energy: -272.013258 where: bonds (distance) C4'-P energy: -63.183 bonds (distance) P-C4' energy: -60.626 flat angles C4'-P-C4' energy: -55.913 flat angles P-C4'-P energy: -36.751 tors. eta vs tors. theta energy: -55.542 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: 9, replica: 1 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -616.472822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.472822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.472822 (E_RNA) where: Base-Base interactions energy: -358.022 where: short stacking energy: -175.548 Base-Backbone interact. energy: 0.222 local terms energy: -258.672379 where: bonds (distance) C4'-P energy: -66.624 bonds (distance) P-C4' energy: -66.177 flat angles C4'-P-C4' energy: -63.439 flat angles P-C4'-P energy: -36.896 tors. eta vs tors. theta energy: -25.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -458.577920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.577920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.577920 (E_RNA) where: Base-Base interactions energy: -236.059 where: short stacking energy: -128.169 Base-Backbone interact. energy: -0.962 local terms energy: -221.556710 where: bonds (distance) C4'-P energy: -65.918 bonds (distance) P-C4' energy: -64.303 flat angles C4'-P-C4' energy: -63.748 flat angles P-C4'-P energy: -23.617 tors. eta vs tors. theta energy: -3.970 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: 225 Temperature: 0.900000 Total energy: -1435.482010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.482010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.482010 (E_RNA) where: Base-Base interactions energy: -991.719 where: short stacking energy: -400.565 Base-Backbone interact. energy: -2.977 local terms energy: -440.785942 where: bonds (distance) C4'-P energy: -89.163 bonds (distance) P-C4' energy: -77.466 flat angles C4'-P-C4' energy: -92.852 flat angles P-C4'-P energy: -69.542 tors. eta vs tors. theta energy: -111.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1391.146991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.146991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.146991 (E_RNA) where: Base-Base interactions energy: -939.223 where: short stacking energy: -419.882 Base-Backbone interact. energy: -1.513 local terms energy: -450.411120 where: bonds (distance) C4'-P energy: -84.664 bonds (distance) P-C4' energy: -80.858 flat angles C4'-P-C4' energy: -87.322 flat angles P-C4'-P energy: -64.657 tors. eta vs tors. theta energy: -132.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1278.569193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.569193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.569193 (E_RNA) where: Base-Base interactions energy: -888.904 where: short stacking energy: -378.129 Base-Backbone interact. energy: -2.024 local terms energy: -387.641283 where: bonds (distance) C4'-P energy: -68.266 bonds (distance) P-C4' energy: -68.993 flat angles C4'-P-C4' energy: -83.604 flat angles P-C4'-P energy: -56.119 tors. eta vs tors. theta energy: -110.659 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: 4, replica: 8 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1215.737859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.737859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.737859 (E_RNA) where: Base-Base interactions energy: -833.263 where: short stacking energy: -354.719 Base-Backbone interact. energy: -3.291 local terms energy: -379.183882 where: bonds (distance) C4'-P energy: -80.007 bonds (distance) P-C4' energy: -61.618 flat angles C4'-P-C4' energy: -79.321 flat angles P-C4'-P energy: -54.544 tors. eta vs tors. theta energy: -103.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1136.473533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.473533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.473533 (E_RNA) where: Base-Base interactions energy: -769.969 where: short stacking energy: -338.984 Base-Backbone interact. energy: -2.305 local terms energy: -364.200232 where: bonds (distance) C4'-P energy: -70.726 bonds (distance) P-C4' energy: -73.448 flat angles C4'-P-C4' energy: -89.032 flat angles P-C4'-P energy: -41.320 tors. eta vs tors. theta energy: -89.675 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: 4 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1120.016362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.016362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.016362 (E_RNA) where: Base-Base interactions energy: -766.505 where: short stacking energy: -340.279 Base-Backbone interact. energy: -0.014 local terms energy: -353.496911 where: bonds (distance) C4'-P energy: -67.667 bonds (distance) P-C4' energy: -62.980 flat angles C4'-P-C4' energy: -67.633 flat angles P-C4'-P energy: -57.472 tors. eta vs tors. theta energy: -97.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -975.141007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.141007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.141007 (E_RNA) where: Base-Base interactions energy: -668.831 where: short stacking energy: -301.729 Base-Backbone interact. energy: 5.672 local terms energy: -311.981754 where: bonds (distance) C4'-P energy: -66.186 bonds (distance) P-C4' energy: -63.454 flat angles C4'-P-C4' energy: -64.989 flat angles P-C4'-P energy: -45.686 tors. eta vs tors. theta energy: -71.667 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: 7 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -873.210629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.210629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.210629 (E_RNA) where: Base-Base interactions energy: -563.621 where: short stacking energy: -242.560 Base-Backbone interact. energy: -0.134 local terms energy: -309.455058 where: bonds (distance) C4'-P energy: -63.847 bonds (distance) P-C4' energy: -63.633 flat angles C4'-P-C4' energy: -75.998 flat angles P-C4'-P energy: -44.925 tors. eta vs tors. theta energy: -61.052 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: 225 Temperature: 1.300000 Total energy: -606.243972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.243972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.243972 (E_RNA) where: Base-Base interactions energy: -331.148 where: short stacking energy: -166.943 Base-Backbone interact. energy: -2.290 local terms energy: -272.806439 where: bonds (distance) C4'-P energy: -52.279 bonds (distance) P-C4' energy: -76.713 flat angles C4'-P-C4' energy: -57.507 flat angles P-C4'-P energy: -47.929 tors. eta vs tors. theta energy: -38.378 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: 2 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -478.863197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.863197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.863197 (E_RNA) where: Base-Base interactions energy: -274.525 where: short stacking energy: -147.154 Base-Backbone interact. energy: -0.729 local terms energy: -203.609535 where: bonds (distance) C4'-P energy: -60.577 bonds (distance) P-C4' energy: -63.047 flat angles C4'-P-C4' energy: -45.841 flat angles P-C4'-P energy: -32.319 tors. eta vs tors. theta energy: -1.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1441.230115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.230115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.230115 (E_RNA) where: Base-Base interactions energy: -1011.717 where: short stacking energy: -424.709 Base-Backbone interact. energy: -1.808 local terms energy: -427.705526 where: bonds (distance) C4'-P energy: -71.383 bonds (distance) P-C4' energy: -86.345 flat angles C4'-P-C4' energy: -93.736 flat angles P-C4'-P energy: -58.137 tors. eta vs tors. theta energy: -118.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1377.174723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.174723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.174723 (E_RNA) where: Base-Base interactions energy: -944.624 where: short stacking energy: -417.566 Base-Backbone interact. energy: -1.052 local terms energy: -431.498624 where: bonds (distance) C4'-P energy: -76.931 bonds (distance) P-C4' energy: -77.591 flat angles C4'-P-C4' energy: -91.078 flat angles P-C4'-P energy: -67.638 tors. eta vs tors. theta energy: -118.261 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: 3 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1289.175705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.175705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.175705 (E_RNA) where: Base-Base interactions energy: -894.680 where: short stacking energy: -374.629 Base-Backbone interact. energy: -3.710 local terms energy: -390.785692 where: bonds (distance) C4'-P energy: -65.176 bonds (distance) P-C4' energy: -74.012 flat angles C4'-P-C4' energy: -86.394 flat angles P-C4'-P energy: -57.441 tors. eta vs tors. theta energy: -107.763 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: 8 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1210.230045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.230045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.230045 (E_RNA) where: Base-Base interactions energy: -820.095 where: short stacking energy: -335.261 Base-Backbone interact. energy: -0.708 local terms energy: -389.427089 where: bonds (distance) C4'-P energy: -87.133 bonds (distance) P-C4' energy: -74.660 flat angles C4'-P-C4' energy: -90.731 flat angles P-C4'-P energy: -46.097 tors. eta vs tors. theta energy: -90.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1129.001911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.001911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.001911 (E_RNA) where: Base-Base interactions energy: -754.000 where: short stacking energy: -354.139 Base-Backbone interact. energy: -1.754 local terms energy: -373.247994 where: bonds (distance) C4'-P energy: -60.945 bonds (distance) P-C4' energy: -79.551 flat angles C4'-P-C4' energy: -84.630 flat angles P-C4'-P energy: -56.543 tors. eta vs tors. theta energy: -91.579 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: 6, replica: 6 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1097.802747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.802747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.802747 (E_RNA) where: Base-Base interactions energy: -730.933 where: short stacking energy: -324.809 Base-Backbone interact. energy: -0.282 local terms energy: -366.587449 where: bonds (distance) C4'-P energy: -59.537 bonds (distance) P-C4' energy: -74.436 flat angles C4'-P-C4' energy: -73.765 flat angles P-C4'-P energy: -62.467 tors. eta vs tors. theta energy: -96.382 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: 7, replica: 5 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -957.702338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.702338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.702338 (E_RNA) where: Base-Base interactions energy: -656.879 where: short stacking energy: -266.175 Base-Backbone interact. energy: -1.592 local terms energy: -299.231427 where: bonds (distance) C4'-P energy: -61.711 bonds (distance) P-C4' energy: -52.838 flat angles C4'-P-C4' energy: -79.111 flat angles P-C4'-P energy: -50.255 tors. eta vs tors. theta energy: -55.316 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: 7 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -926.784009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.784009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.784009 (E_RNA) where: Base-Base interactions energy: -612.925 where: short stacking energy: -273.743 Base-Backbone interact. energy: -1.645 local terms energy: -312.214192 where: bonds (distance) C4'-P energy: -67.298 bonds (distance) P-C4' energy: -62.947 flat angles C4'-P-C4' energy: -75.871 flat angles P-C4'-P energy: -45.634 tors. eta vs tors. theta energy: -60.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -587.577034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.577034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.577034 (E_RNA) where: Base-Base interactions energy: -333.139 where: short stacking energy: -182.415 Base-Backbone interact. energy: -2.121 local terms energy: -252.317014 where: bonds (distance) C4'-P energy: -62.239 bonds (distance) P-C4' energy: -71.311 flat angles C4'-P-C4' energy: -57.108 flat angles P-C4'-P energy: -33.096 tors. eta vs tors. theta energy: -28.562 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: 2 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -503.860183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.860183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.860183 (E_RNA) where: Base-Base interactions energy: -276.501 where: short stacking energy: -160.648 Base-Backbone interact. energy: 4.013 local terms energy: -231.372758 where: bonds (distance) C4'-P energy: -61.253 bonds (distance) P-C4' energy: -59.903 flat angles C4'-P-C4' energy: -56.731 flat angles P-C4'-P energy: -32.042 tors. eta vs tors. theta energy: -21.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1417.561668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.561668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.561668 (E_RNA) where: Base-Base interactions energy: -999.380 where: short stacking energy: -428.194 Base-Backbone interact. energy: -2.512 local terms energy: -415.669414 where: bonds (distance) C4'-P energy: -69.714 bonds (distance) P-C4' energy: -79.769 flat angles C4'-P-C4' energy: -88.814 flat angles P-C4'-P energy: -58.013 tors. eta vs tors. theta energy: -119.359 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: 9 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1385.357912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.357912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.357912 (E_RNA) where: Base-Base interactions energy: -963.442 where: short stacking energy: -431.894 Base-Backbone interact. energy: -2.138 local terms energy: -419.778086 where: bonds (distance) C4'-P energy: -68.013 bonds (distance) P-C4' energy: -81.748 flat angles C4'-P-C4' energy: -89.919 flat angles P-C4'-P energy: -61.676 tors. eta vs tors. theta energy: -118.422 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: 3 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1287.535807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.535807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.535807 (E_RNA) where: Base-Base interactions energy: -890.272 where: short stacking energy: -377.614 Base-Backbone interact. energy: 0.420 local terms energy: -397.683564 where: bonds (distance) C4'-P energy: -73.193 bonds (distance) P-C4' energy: -72.814 flat angles C4'-P-C4' energy: -82.264 flat angles P-C4'-P energy: -51.533 tors. eta vs tors. theta energy: -117.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1226.073350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.073350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.073350 (E_RNA) where: Base-Base interactions energy: -852.249 where: short stacking energy: -359.207 Base-Backbone interact. energy: 1.982 local terms energy: -375.807119 where: bonds (distance) C4'-P energy: -62.959 bonds (distance) P-C4' energy: -71.237 flat angles C4'-P-C4' energy: -89.192 flat angles P-C4'-P energy: -51.784 tors. eta vs tors. theta energy: -100.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1121.211839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.211839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.211839 (E_RNA) where: Base-Base interactions energy: -748.215 where: short stacking energy: -334.276 Base-Backbone interact. energy: -1.623 local terms energy: -371.374038 where: bonds (distance) C4'-P energy: -74.564 bonds (distance) P-C4' energy: -74.729 flat angles C4'-P-C4' energy: -79.981 flat angles P-C4'-P energy: -59.332 tors. eta vs tors. theta energy: -82.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1068.277776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.277776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.277776 (E_RNA) where: Base-Base interactions energy: -714.550 where: short stacking energy: -329.031 Base-Backbone interact. energy: -0.002 local terms energy: -353.725379 where: bonds (distance) C4'-P energy: -63.151 bonds (distance) P-C4' energy: -77.082 flat angles C4'-P-C4' energy: -81.916 flat angles P-C4'-P energy: -46.468 tors. eta vs tors. theta energy: -85.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -944.775907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.775907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.775907 (E_RNA) where: Base-Base interactions energy: -623.545 where: short stacking energy: -276.011 Base-Backbone interact. energy: 1.833 local terms energy: -323.064201 where: bonds (distance) C4'-P energy: -76.769 bonds (distance) P-C4' energy: -76.308 flat angles C4'-P-C4' energy: -60.507 flat angles P-C4'-P energy: -48.453 tors. eta vs tors. theta energy: -61.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -927.901487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.901487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.901487 (E_RNA) where: Base-Base interactions energy: -640.030 where: short stacking energy: -277.359 Base-Backbone interact. energy: -5.076 local terms energy: -282.796322 where: bonds (distance) C4'-P energy: -61.350 bonds (distance) P-C4' energy: -57.960 flat angles C4'-P-C4' energy: -62.556 flat angles P-C4'-P energy: -45.064 tors. eta vs tors. theta energy: -55.866 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: 9, replica: 1 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -604.324535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.324535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.324535 (E_RNA) where: Base-Base interactions energy: -338.183 where: short stacking energy: -179.801 Base-Backbone interact. energy: -0.741 local terms energy: -265.400936 where: bonds (distance) C4'-P energy: -59.912 bonds (distance) P-C4' energy: -74.416 flat angles C4'-P-C4' energy: -57.769 flat angles P-C4'-P energy: -43.500 tors. eta vs tors. theta energy: -29.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -503.772067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.772067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.772067 (E_RNA) where: Base-Base interactions energy: -281.762 where: short stacking energy: -140.531 Base-Backbone interact. energy: -1.336 local terms energy: -220.674039 where: bonds (distance) C4'-P energy: -62.288 bonds (distance) P-C4' energy: -64.383 flat angles C4'-P-C4' energy: -57.313 flat angles P-C4'-P energy: -36.530 tors. eta vs tors. theta energy: -0.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1405.787123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.787123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.787123 (E_RNA) where: Base-Base interactions energy: -996.041 where: short stacking energy: -404.049 Base-Backbone interact. energy: -0.596 local terms energy: -409.150241 where: bonds (distance) C4'-P energy: -75.040 bonds (distance) P-C4' energy: -77.054 flat angles C4'-P-C4' energy: -83.002 flat angles P-C4'-P energy: -58.678 tors. eta vs tors. theta energy: -115.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1398.592457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.592457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.592457 (E_RNA) where: Base-Base interactions energy: -961.064 where: short stacking energy: -422.995 Base-Backbone interact. energy: -2.976 local terms energy: -434.552214 where: bonds (distance) C4'-P energy: -81.555 bonds (distance) P-C4' energy: -79.646 flat angles C4'-P-C4' energy: -87.819 flat angles P-C4'-P energy: -56.698 tors. eta vs tors. theta energy: -128.834 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: 3 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1309.142709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.142709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.142709 (E_RNA) where: Base-Base interactions energy: -904.886 where: short stacking energy: -374.677 Base-Backbone interact. energy: -1.722 local terms energy: -402.534723 where: bonds (distance) C4'-P energy: -69.412 bonds (distance) P-C4' energy: -84.325 flat angles C4'-P-C4' energy: -81.101 flat angles P-C4'-P energy: -59.239 tors. eta vs tors. theta energy: -108.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1202.376135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.376135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.376135 (E_RNA) where: Base-Base interactions energy: -822.137 where: short stacking energy: -360.723 Base-Backbone interact. energy: -2.854 local terms energy: -377.385003 where: bonds (distance) C4'-P energy: -67.735 bonds (distance) P-C4' energy: -67.116 flat angles C4'-P-C4' energy: -87.317 flat angles P-C4'-P energy: -56.151 tors. eta vs tors. theta energy: -99.066 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: 4 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1122.603888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.603888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.603888 (E_RNA) where: Base-Base interactions energy: -740.735 where: short stacking energy: -344.828 Base-Backbone interact. energy: -1.627 local terms energy: -380.241791 where: bonds (distance) C4'-P energy: -66.957 bonds (distance) P-C4' energy: -75.825 flat angles C4'-P-C4' energy: -84.293 flat angles P-C4'-P energy: -53.607 tors. eta vs tors. theta energy: -99.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1104.662256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.662256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.662256 (E_RNA) where: Base-Base interactions energy: -759.199 where: short stacking energy: -337.275 Base-Backbone interact. energy: 1.050 local terms energy: -346.513719 where: bonds (distance) C4'-P energy: -62.708 bonds (distance) P-C4' energy: -64.881 flat angles C4'-P-C4' energy: -81.553 flat angles P-C4'-P energy: -45.624 tors. eta vs tors. theta energy: -91.748 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: 5 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -928.831582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.831582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.831582 (E_RNA) where: Base-Base interactions energy: -623.119 where: short stacking energy: -253.857 Base-Backbone interact. energy: -2.081 local terms energy: -303.632198 where: bonds (distance) C4'-P energy: -69.451 bonds (distance) P-C4' energy: -63.172 flat angles C4'-P-C4' energy: -74.666 flat angles P-C4'-P energy: -47.824 tors. eta vs tors. theta energy: -48.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -874.566791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.566791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.566791 (E_RNA) where: Base-Base interactions energy: -596.262 where: short stacking energy: -226.660 Base-Backbone interact. energy: -0.832 local terms energy: -277.472640 where: bonds (distance) C4'-P energy: -54.364 bonds (distance) P-C4' energy: -67.344 flat angles C4'-P-C4' energy: -66.285 flat angles P-C4'-P energy: -39.942 tors. eta vs tors. theta energy: -49.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -612.058854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.058854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.058854 (E_RNA) where: Base-Base interactions energy: -367.195 where: short stacking energy: -171.847 Base-Backbone interact. energy: 2.072 local terms energy: -246.935835 where: bonds (distance) C4'-P energy: -55.720 bonds (distance) P-C4' energy: -68.791 flat angles C4'-P-C4' energy: -66.642 flat angles P-C4'-P energy: -35.571 tors. eta vs tors. theta energy: -20.213 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: 2 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -536.591813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.591813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.591813 (E_RNA) where: Base-Base interactions energy: -313.840 where: short stacking energy: -166.789 Base-Backbone interact. energy: -3.214 local terms energy: -219.537538 where: bonds (distance) C4'-P energy: -61.659 bonds (distance) P-C4' energy: -64.562 flat angles C4'-P-C4' energy: -51.533 flat angles P-C4'-P energy: -33.644 tors. eta vs tors. theta energy: -8.139 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: 10 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1426.001241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.001241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.001241 (E_RNA) where: Base-Base interactions energy: -987.650 where: short stacking energy: -419.576 Base-Backbone interact. energy: -2.624 local terms energy: -435.727382 where: bonds (distance) C4'-P energy: -79.228 bonds (distance) P-C4' energy: -81.839 flat angles C4'-P-C4' energy: -89.449 flat angles P-C4'-P energy: -69.859 tors. eta vs tors. theta energy: -115.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1376.126704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.126704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.126704 (E_RNA) where: Base-Base interactions energy: -937.696 where: short stacking energy: -419.417 Base-Backbone interact. energy: -4.099 local terms energy: -434.331214 where: bonds (distance) C4'-P energy: -70.997 bonds (distance) P-C4' energy: -79.323 flat angles C4'-P-C4' energy: -88.477 flat angles P-C4'-P energy: -61.811 tors. eta vs tors. theta energy: -133.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1301.368250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.368250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.368250 (E_RNA) where: Base-Base interactions energy: -904.227 where: short stacking energy: -382.974 Base-Backbone interact. energy: -0.103 local terms energy: -397.038181 where: bonds (distance) C4'-P energy: -67.435 bonds (distance) P-C4' energy: -71.329 flat angles C4'-P-C4' energy: -79.751 flat angles P-C4'-P energy: -61.826 tors. eta vs tors. theta energy: -116.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1241.279480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.279480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.279480 (E_RNA) where: Base-Base interactions energy: -844.751 where: short stacking energy: -379.155 Base-Backbone interact. energy: 0.508 local terms energy: -397.036685 where: bonds (distance) C4'-P energy: -72.211 bonds (distance) P-C4' energy: -75.915 flat angles C4'-P-C4' energy: -93.735 flat angles P-C4'-P energy: -45.673 tors. eta vs tors. theta energy: -109.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1147.136862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.136862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.136862 (E_RNA) where: Base-Base interactions energy: -784.527 where: short stacking energy: -343.818 Base-Backbone interact. energy: 0.591 local terms energy: -363.201382 where: bonds (distance) C4'-P energy: -59.139 bonds (distance) P-C4' energy: -72.395 flat angles C4'-P-C4' energy: -78.900 flat angles P-C4'-P energy: -56.230 tors. eta vs tors. theta energy: -96.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1108.354337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.354337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.354337 (E_RNA) where: Base-Base interactions energy: -750.099 where: short stacking energy: -333.128 Base-Backbone interact. energy: -3.269 local terms energy: -354.985893 where: bonds (distance) C4'-P energy: -51.277 bonds (distance) P-C4' energy: -71.967 flat angles C4'-P-C4' energy: -79.461 flat angles P-C4'-P energy: -56.204 tors. eta vs tors. theta energy: -96.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -948.082035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.082035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.082035 (E_RNA) where: Base-Base interactions energy: -631.422 where: short stacking energy: -266.257 Base-Backbone interact. energy: -0.942 local terms energy: -315.718778 where: bonds (distance) C4'-P energy: -62.795 bonds (distance) P-C4' energy: -72.261 flat angles C4'-P-C4' energy: -68.279 flat angles P-C4'-P energy: -49.032 tors. eta vs tors. theta energy: -63.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -903.207898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.207898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.207898 (E_RNA) where: Base-Base interactions energy: -601.730 where: short stacking energy: -274.125 Base-Backbone interact. energy: -0.808 local terms energy: -300.669954 where: bonds (distance) C4'-P energy: -62.160 bonds (distance) P-C4' energy: -49.419 flat angles C4'-P-C4' energy: -75.803 flat angles P-C4'-P energy: -53.323 tors. eta vs tors. theta energy: -59.964 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: 229 Temperature: 1.300000 Total energy: -638.259741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.259741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.259741 (E_RNA) where: Base-Base interactions energy: -381.462 where: short stacking energy: -193.247 Base-Backbone interact. energy: -0.011 local terms energy: -256.786422 where: bonds (distance) C4'-P energy: -45.297 bonds (distance) P-C4' energy: -80.129 flat angles C4'-P-C4' energy: -62.659 flat angles P-C4'-P energy: -36.197 tors. eta vs tors. theta energy: -32.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -564.476997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.476997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.476997 (E_RNA) where: Base-Base interactions energy: -314.868 where: short stacking energy: -143.694 Base-Backbone interact. energy: 4.832 local terms energy: -254.440856 where: bonds (distance) C4'-P energy: -68.882 bonds (distance) P-C4' energy: -69.459 flat angles C4'-P-C4' energy: -66.379 flat angles P-C4'-P energy: -30.656 tors. eta vs tors. theta energy: -19.065 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: 230 Temperature: 0.900000 Total energy: -1423.078195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.078195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.078195 (E_RNA) where: Base-Base interactions energy: -998.456 where: short stacking energy: -431.610 Base-Backbone interact. energy: -0.191 local terms energy: -424.431085 where: bonds (distance) C4'-P energy: -75.289 bonds (distance) P-C4' energy: -74.207 flat angles C4'-P-C4' energy: -93.155 flat angles P-C4'-P energy: -63.551 tors. eta vs tors. theta energy: -118.228 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: 2, replica: 9 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1370.124606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.124606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.124606 (E_RNA) where: Base-Base interactions energy: -941.600 where: short stacking energy: -416.471 Base-Backbone interact. energy: -2.054 local terms energy: -426.470384 where: bonds (distance) C4'-P energy: -79.034 bonds (distance) P-C4' energy: -70.247 flat angles C4'-P-C4' energy: -89.968 flat angles P-C4'-P energy: -57.331 tors. eta vs tors. theta energy: -129.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1288.455453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.455453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.455453 (E_RNA) where: Base-Base interactions energy: -895.231 where: short stacking energy: -362.523 Base-Backbone interact. energy: -1.855 local terms energy: -391.369380 where: bonds (distance) C4'-P energy: -78.311 bonds (distance) P-C4' energy: -71.258 flat angles C4'-P-C4' energy: -77.920 flat angles P-C4'-P energy: -57.603 tors. eta vs tors. theta energy: -106.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1230.401335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.401335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.401335 (E_RNA) where: Base-Base interactions energy: -825.654 where: short stacking energy: -357.556 Base-Backbone interact. energy: -2.207 local terms energy: -402.540106 where: bonds (distance) C4'-P energy: -79.804 bonds (distance) P-C4' energy: -78.105 flat angles C4'-P-C4' energy: -82.461 flat angles P-C4'-P energy: -53.654 tors. eta vs tors. theta energy: -108.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1128.988222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.988222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.988222 (E_RNA) where: Base-Base interactions energy: -771.515 where: short stacking energy: -349.480 Base-Backbone interact. energy: -1.400 local terms energy: -356.073250 where: bonds (distance) C4'-P energy: -69.601 bonds (distance) P-C4' energy: -53.906 flat angles C4'-P-C4' energy: -85.571 flat angles P-C4'-P energy: -54.781 tors. eta vs tors. theta energy: -92.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1061.817397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.817397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.817397 (E_RNA) where: Base-Base interactions energy: -712.892 where: short stacking energy: -339.705 Base-Backbone interact. energy: 0.047 local terms energy: -348.972816 where: bonds (distance) C4'-P energy: -72.911 bonds (distance) P-C4' energy: -72.666 flat angles C4'-P-C4' energy: -72.781 flat angles P-C4'-P energy: -37.469 tors. eta vs tors. theta energy: -93.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -947.430231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.430231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.430231 (E_RNA) where: Base-Base interactions energy: -630.745 where: short stacking energy: -280.566 Base-Backbone interact. energy: -2.822 local terms energy: -313.862322 where: bonds (distance) C4'-P energy: -53.399 bonds (distance) P-C4' energy: -71.019 flat angles C4'-P-C4' energy: -73.244 flat angles P-C4'-P energy: -46.081 tors. eta vs tors. theta energy: -70.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -918.710354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.710354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.710354 (E_RNA) where: Base-Base interactions energy: -624.099 where: short stacking energy: -270.286 Base-Backbone interact. energy: -1.087 local terms energy: -293.523714 where: bonds (distance) C4'-P energy: -66.380 bonds (distance) P-C4' energy: -60.176 flat angles C4'-P-C4' energy: -67.187 flat angles P-C4'-P energy: -52.339 tors. eta vs tors. theta energy: -47.442 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: 230 Temperature: 1.300000 Total energy: -636.654630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.654630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.654630 (E_RNA) where: Base-Base interactions energy: -392.948 where: short stacking energy: -186.872 Base-Backbone interact. energy: -1.718 local terms energy: -241.988533 where: bonds (distance) C4'-P energy: -64.743 bonds (distance) P-C4' energy: -69.135 flat angles C4'-P-C4' energy: -47.920 flat angles P-C4'-P energy: -33.208 tors. eta vs tors. theta energy: -26.982 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: 10, replica: 2 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -558.453948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.453948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.453948 (E_RNA) where: Base-Base interactions energy: -319.288 where: short stacking energy: -177.533 Base-Backbone interact. energy: 0.458 local terms energy: -239.623720 where: bonds (distance) C4'-P energy: -83.106 bonds (distance) P-C4' energy: -64.909 flat angles C4'-P-C4' energy: -62.141 flat angles P-C4'-P energy: -33.415 tors. eta vs tors. theta energy: 3.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1425.635460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.635460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.635460 (E_RNA) where: Base-Base interactions energy: -1012.342 where: short stacking energy: -414.515 Base-Backbone interact. energy: -1.396 local terms energy: -411.897720 where: bonds (distance) C4'-P energy: -64.087 bonds (distance) P-C4' energy: -86.703 flat angles C4'-P-C4' energy: -87.786 flat angles P-C4'-P energy: -54.122 tors. eta vs tors. theta energy: -119.200 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: 2, replica: 9 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1407.635120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.635120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.635120 (E_RNA) where: Base-Base interactions energy: -967.079 where: short stacking energy: -430.833 Base-Backbone interact. energy: -0.428 local terms energy: -440.127894 where: bonds (distance) C4'-P energy: -69.798 bonds (distance) P-C4' energy: -81.966 flat angles C4'-P-C4' energy: -90.149 flat angles P-C4'-P energy: -66.931 tors. eta vs tors. theta energy: -131.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1289.077870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.077870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.077870 (E_RNA) where: Base-Base interactions energy: -892.984 where: short stacking energy: -380.601 Base-Backbone interact. energy: -3.837 local terms energy: -392.257058 where: bonds (distance) C4'-P energy: -64.112 bonds (distance) P-C4' energy: -83.642 flat angles C4'-P-C4' energy: -87.114 flat angles P-C4'-P energy: -51.592 tors. eta vs tors. theta energy: -105.798 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: 8 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1252.425964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.425964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.425964 (E_RNA) where: Base-Base interactions energy: -849.520 where: short stacking energy: -362.497 Base-Backbone interact. energy: -0.860 local terms energy: -402.046097 where: bonds (distance) C4'-P energy: -75.731 bonds (distance) P-C4' energy: -70.521 flat angles C4'-P-C4' energy: -90.711 flat angles P-C4'-P energy: -56.311 tors. eta vs tors. theta energy: -108.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1127.783329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.783329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.783329 (E_RNA) where: Base-Base interactions energy: -764.812 where: short stacking energy: -343.600 Base-Backbone interact. energy: -1.263 local terms energy: -361.708412 where: bonds (distance) C4'-P energy: -61.028 bonds (distance) P-C4' energy: -79.535 flat angles C4'-P-C4' energy: -84.958 flat angles P-C4'-P energy: -48.257 tors. eta vs tors. theta energy: -87.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1075.555463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.555463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.555463 (E_RNA) where: Base-Base interactions energy: -729.083 where: short stacking energy: -323.187 Base-Backbone interact. energy: -0.269 local terms energy: -346.203197 where: bonds (distance) C4'-P energy: -44.133 bonds (distance) P-C4' energy: -85.422 flat angles C4'-P-C4' energy: -66.531 flat angles P-C4'-P energy: -55.840 tors. eta vs tors. theta energy: -94.277 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: 7 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -930.477275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.477275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.477275 (E_RNA) where: Base-Base interactions energy: -612.737 where: short stacking energy: -279.470 Base-Backbone interact. energy: 2.219 local terms energy: -319.959653 where: bonds (distance) C4'-P energy: -64.461 bonds (distance) P-C4' energy: -68.894 flat angles C4'-P-C4' energy: -68.686 flat angles P-C4'-P energy: -35.106 tors. eta vs tors. theta energy: -82.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -901.938862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.938862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.938862 (E_RNA) where: Base-Base interactions energy: -603.141 where: short stacking energy: -284.766 Base-Backbone interact. energy: -1.800 local terms energy: -296.998277 where: bonds (distance) C4'-P energy: -60.971 bonds (distance) P-C4' energy: -70.409 flat angles C4'-P-C4' energy: -71.684 flat angles P-C4'-P energy: -42.173 tors. eta vs tors. theta energy: -51.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -649.343058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.343058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.343058 (E_RNA) where: Base-Base interactions energy: -385.122 where: short stacking energy: -189.354 Base-Backbone interact. energy: 2.333 local terms energy: -266.553560 where: bonds (distance) C4'-P energy: -58.736 bonds (distance) P-C4' energy: -66.576 flat angles C4'-P-C4' energy: -60.376 flat angles P-C4'-P energy: -50.791 tors. eta vs tors. theta energy: -30.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -530.984043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.984043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.984043 (E_RNA) where: Base-Base interactions energy: -314.384 where: short stacking energy: -168.517 Base-Backbone interact. energy: 1.182 local terms energy: -217.782335 where: bonds (distance) C4'-P energy: -63.522 bonds (distance) P-C4' energy: -66.036 flat angles C4'-P-C4' energy: -53.573 flat angles P-C4'-P energy: -39.690 tors. eta vs tors. theta energy: 5.039 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: 9 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1421.212628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.212628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.212628 (E_RNA) where: Base-Base interactions energy: -987.049 where: short stacking energy: -440.926 Base-Backbone interact. energy: -1.126 local terms energy: -433.037212 where: bonds (distance) C4'-P energy: -75.576 bonds (distance) P-C4' energy: -73.142 flat angles C4'-P-C4' energy: -96.839 flat angles P-C4'-P energy: -59.152 tors. eta vs tors. theta energy: -128.329 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: 10 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1413.902276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.902276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.902276 (E_RNA) where: Base-Base interactions energy: -1010.250 where: short stacking energy: -426.712 Base-Backbone interact. energy: -1.643 local terms energy: -402.008868 where: bonds (distance) C4'-P energy: -69.765 bonds (distance) P-C4' energy: -79.529 flat angles C4'-P-C4' energy: -85.478 flat angles P-C4'-P energy: -55.003 tors. eta vs tors. theta energy: -112.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1268.026715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.026715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.026715 (E_RNA) where: Base-Base interactions energy: -865.528 where: short stacking energy: -375.635 Base-Backbone interact. energy: -0.295 local terms energy: -402.203303 where: bonds (distance) C4'-P energy: -70.019 bonds (distance) P-C4' energy: -77.038 flat angles C4'-P-C4' energy: -82.295 flat angles P-C4'-P energy: -62.789 tors. eta vs tors. theta energy: -110.062 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: 3 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1264.547257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.547257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.547257 (E_RNA) where: Base-Base interactions energy: -887.361 where: short stacking energy: -351.480 Base-Backbone interact. energy: 0.030 local terms energy: -377.215952 where: bonds (distance) C4'-P energy: -79.483 bonds (distance) P-C4' energy: -73.840 flat angles C4'-P-C4' energy: -73.767 flat angles P-C4'-P energy: -54.739 tors. eta vs tors. theta energy: -95.387 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: 4 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1123.669024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.669024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.669024 (E_RNA) where: Base-Base interactions energy: -742.446 where: short stacking energy: -336.488 Base-Backbone interact. energy: 0.608 local terms energy: -381.831170 where: bonds (distance) C4'-P energy: -59.954 bonds (distance) P-C4' energy: -79.042 flat angles C4'-P-C4' energy: -90.129 flat angles P-C4'-P energy: -59.206 tors. eta vs tors. theta energy: -93.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1105.327273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.327273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.327273 (E_RNA) where: Base-Base interactions energy: -744.624 where: short stacking energy: -349.563 Base-Backbone interact. energy: -0.851 local terms energy: -359.853052 where: bonds (distance) C4'-P energy: -78.054 bonds (distance) P-C4' energy: -64.906 flat angles C4'-P-C4' energy: -77.830 flat angles P-C4'-P energy: -55.640 tors. eta vs tors. theta energy: -83.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -974.552455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.552455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.552455 (E_RNA) where: Base-Base interactions energy: -654.130 where: short stacking energy: -314.864 Base-Backbone interact. energy: 4.611 local terms energy: -325.033785 where: bonds (distance) C4'-P energy: -63.701 bonds (distance) P-C4' energy: -73.952 flat angles C4'-P-C4' energy: -71.328 flat angles P-C4'-P energy: -44.987 tors. eta vs tors. theta energy: -71.066 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: 5 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -902.541080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.541080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.541080 (E_RNA) where: Base-Base interactions energy: -601.035 where: short stacking energy: -253.461 Base-Backbone interact. energy: -2.589 local terms energy: -298.917236 where: bonds (distance) C4'-P energy: -54.097 bonds (distance) P-C4' energy: -64.644 flat angles C4'-P-C4' energy: -76.276 flat angles P-C4'-P energy: -40.252 tors. eta vs tors. theta energy: -63.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -624.322688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.322688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.322688 (E_RNA) where: Base-Base interactions energy: -359.952 where: short stacking energy: -170.208 Base-Backbone interact. energy: -2.484 local terms energy: -261.887063 where: bonds (distance) C4'-P energy: -75.696 bonds (distance) P-C4' energy: -55.024 flat angles C4'-P-C4' energy: -66.584 flat angles P-C4'-P energy: -41.561 tors. eta vs tors. theta energy: -23.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -509.414778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.414778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.414778 (E_RNA) where: Base-Base interactions energy: -296.350 where: short stacking energy: -151.785 Base-Backbone interact. energy: -0.741 local terms energy: -212.324211 where: bonds (distance) C4'-P energy: -59.087 bonds (distance) P-C4' energy: -71.775 flat angles C4'-P-C4' energy: -47.083 flat angles P-C4'-P energy: -26.112 tors. eta vs tors. theta energy: -8.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1429.184796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.184796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.184796 (E_RNA) where: Base-Base interactions energy: -983.172 where: short stacking energy: -435.657 Base-Backbone interact. energy: -1.719 local terms energy: -444.293774 where: bonds (distance) C4'-P energy: -80.089 bonds (distance) P-C4' energy: -82.612 flat angles C4'-P-C4' energy: -89.202 flat angles P-C4'-P energy: -66.508 tors. eta vs tors. theta energy: -125.883 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: 10 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1357.825986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.825986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.825986 (E_RNA) where: Base-Base interactions energy: -944.335 where: short stacking energy: -406.558 Base-Backbone interact. energy: -0.685 local terms energy: -412.806163 where: bonds (distance) C4'-P energy: -82.179 bonds (distance) P-C4' energy: -70.778 flat angles C4'-P-C4' energy: -81.309 flat angles P-C4'-P energy: -63.524 tors. eta vs tors. theta energy: -115.016 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: 8 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1276.751075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.751075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.751075 (E_RNA) where: Base-Base interactions energy: -879.556 where: short stacking energy: -398.119 Base-Backbone interact. energy: -2.584 local terms energy: -394.610663 where: bonds (distance) C4'-P energy: -70.464 bonds (distance) P-C4' energy: -70.218 flat angles C4'-P-C4' energy: -81.733 flat angles P-C4'-P energy: -58.763 tors. eta vs tors. theta energy: -113.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1272.816095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.816095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.816095 (E_RNA) where: Base-Base interactions energy: -892.184 where: short stacking energy: -354.765 Base-Backbone interact. energy: 0.738 local terms energy: -381.370264 where: bonds (distance) C4'-P energy: -67.607 bonds (distance) P-C4' energy: -70.855 flat angles C4'-P-C4' energy: -83.952 flat angles P-C4'-P energy: -57.978 tors. eta vs tors. theta energy: -100.978 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: 5, replica: 4 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1108.051286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.051286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.051286 (E_RNA) where: Base-Base interactions energy: -742.001 where: short stacking energy: -324.302 Base-Backbone interact. energy: -1.138 local terms energy: -364.912005 where: bonds (distance) C4'-P energy: -71.930 bonds (distance) P-C4' energy: -66.529 flat angles C4'-P-C4' energy: -85.283 flat angles P-C4'-P energy: -55.308 tors. eta vs tors. theta energy: -85.862 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: 6 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1136.040441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.040441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.040441 (E_RNA) where: Base-Base interactions energy: -786.037 where: short stacking energy: -345.264 Base-Backbone interact. energy: -1.693 local terms energy: -348.310250 where: bonds (distance) C4'-P energy: -67.689 bonds (distance) P-C4' energy: -74.535 flat angles C4'-P-C4' energy: -64.916 flat angles P-C4'-P energy: -41.376 tors. eta vs tors. theta energy: -99.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -946.269304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.269304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.269304 (E_RNA) where: Base-Base interactions energy: -644.970 where: short stacking energy: -306.833 Base-Backbone interact. energy: 2.468 local terms energy: -303.767448 where: bonds (distance) C4'-P energy: -52.586 bonds (distance) P-C4' energy: -60.531 flat angles C4'-P-C4' energy: -73.191 flat angles P-C4'-P energy: -40.837 tors. eta vs tors. theta energy: -76.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -907.530814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.530814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.530814 (E_RNA) where: Base-Base interactions energy: -591.175 where: short stacking energy: -232.614 Base-Backbone interact. energy: -1.973 local terms energy: -314.383101 where: bonds (distance) C4'-P energy: -68.177 bonds (distance) P-C4' energy: -77.489 flat angles C4'-P-C4' energy: -70.221 flat angles P-C4'-P energy: -43.180 tors. eta vs tors. theta energy: -55.316 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: 1 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -552.537372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.537372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.537372 (E_RNA) where: Base-Base interactions energy: -304.103 where: short stacking energy: -164.123 Base-Backbone interact. energy: -1.116 local terms energy: -247.317774 where: bonds (distance) C4'-P energy: -58.523 bonds (distance) P-C4' energy: -70.824 flat angles C4'-P-C4' energy: -53.390 flat angles P-C4'-P energy: -50.661 tors. eta vs tors. theta energy: -13.920 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: 2 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -514.291660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.291660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.291660 (E_RNA) where: Base-Base interactions energy: -299.854 where: short stacking energy: -160.169 Base-Backbone interact. energy: -1.510 local terms energy: -212.928181 where: bonds (distance) C4'-P energy: -54.993 bonds (distance) P-C4' energy: -53.743 flat angles C4'-P-C4' energy: -56.642 flat angles P-C4'-P energy: -30.874 tors. eta vs tors. theta energy: -16.676 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: 1, replica: 9 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1414.400190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.400190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.400190 (E_RNA) where: Base-Base interactions energy: -976.420 where: short stacking energy: -412.451 Base-Backbone interact. energy: -4.372 local terms energy: -433.608587 where: bonds (distance) C4'-P energy: -83.381 bonds (distance) P-C4' energy: -79.735 flat angles C4'-P-C4' energy: -87.268 flat angles P-C4'-P energy: -64.333 tors. eta vs tors. theta energy: -118.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1353.740281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.740281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.740281 (E_RNA) where: Base-Base interactions energy: -945.008 where: short stacking energy: -398.804 Base-Backbone interact. energy: -2.571 local terms energy: -406.160737 where: bonds (distance) C4'-P energy: -70.267 bonds (distance) P-C4' energy: -83.004 flat angles C4'-P-C4' energy: -87.706 flat angles P-C4'-P energy: -55.031 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: 3, replica: 3 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1279.652253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.652253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.652253 (E_RNA) where: Base-Base interactions energy: -912.064 where: short stacking energy: -358.365 Base-Backbone interact. energy: -4.913 local terms energy: -362.675930 where: bonds (distance) C4'-P energy: -66.958 bonds (distance) P-C4' energy: -60.561 flat angles C4'-P-C4' energy: -82.818 flat angles P-C4'-P energy: -56.972 tors. eta vs tors. theta energy: -95.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1229.259156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.259156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.259156 (E_RNA) where: Base-Base interactions energy: -829.682 where: short stacking energy: -366.784 Base-Backbone interact. energy: -1.351 local terms energy: -398.225863 where: bonds (distance) C4'-P energy: -78.282 bonds (distance) P-C4' energy: -83.252 flat angles C4'-P-C4' energy: -77.516 flat angles P-C4'-P energy: -46.974 tors. eta vs tors. theta energy: -112.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1105.594530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.594530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.594530 (E_RNA) where: Base-Base interactions energy: -733.215 where: short stacking energy: -334.473 Base-Backbone interact. energy: -1.476 local terms energy: -370.902976 where: bonds (distance) C4'-P energy: -72.459 bonds (distance) P-C4' energy: -64.997 flat angles C4'-P-C4' energy: -85.028 flat angles P-C4'-P energy: -58.087 tors. eta vs tors. theta energy: -90.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1103.599535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.599535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.599535 (E_RNA) where: Base-Base interactions energy: -741.644 where: short stacking energy: -322.182 Base-Backbone interact. energy: -2.330 local terms energy: -359.626020 where: bonds (distance) C4'-P energy: -60.663 bonds (distance) P-C4' energy: -80.563 flat angles C4'-P-C4' energy: -79.990 flat angles P-C4'-P energy: -51.430 tors. eta vs tors. theta energy: -86.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -949.129149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.129149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.129149 (E_RNA) where: Base-Base interactions energy: -646.802 where: short stacking energy: -267.462 Base-Backbone interact. energy: -0.352 local terms energy: -301.975146 where: bonds (distance) C4'-P energy: -63.093 bonds (distance) P-C4' energy: -60.667 flat angles C4'-P-C4' energy: -62.647 flat angles P-C4'-P energy: -54.848 tors. eta vs tors. theta energy: -60.720 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: 5 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -875.451898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.451898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.451898 (E_RNA) where: Base-Base interactions energy: -583.443 where: short stacking energy: -262.321 Base-Backbone interact. energy: 4.806 local terms energy: -296.815636 where: bonds (distance) C4'-P energy: -70.971 bonds (distance) P-C4' energy: -73.139 flat angles C4'-P-C4' energy: -61.768 flat angles P-C4'-P energy: -37.601 tors. eta vs tors. theta energy: -53.337 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: 2 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -579.345640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.345640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.345640 (E_RNA) where: Base-Base interactions energy: -326.462 where: short stacking energy: -176.655 Base-Backbone interact. energy: 5.309 local terms energy: -258.192445 where: bonds (distance) C4'-P energy: -57.412 bonds (distance) P-C4' energy: -68.649 flat angles C4'-P-C4' energy: -61.117 flat angles P-C4'-P energy: -44.266 tors. eta vs tors. theta energy: -26.748 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: 234 Temperature: 1.350000 Total energy: -574.177884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.177884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.177884 (E_RNA) where: Base-Base interactions energy: -322.407 where: short stacking energy: -159.017 Base-Backbone interact. energy: -0.939 local terms energy: -250.831826 where: bonds (distance) C4'-P energy: -79.853 bonds (distance) P-C4' energy: -66.548 flat angles C4'-P-C4' energy: -57.428 flat angles P-C4'-P energy: -34.264 tors. eta vs tors. theta energy: -12.739 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: 9 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1411.505289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.505289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.505289 (E_RNA) where: Base-Base interactions energy: -968.278 where: short stacking energy: -403.417 Base-Backbone interact. energy: -2.399 local terms energy: -440.827725 where: bonds (distance) C4'-P energy: -77.449 bonds (distance) P-C4' energy: -74.476 flat angles C4'-P-C4' energy: -94.802 flat angles P-C4'-P energy: -65.046 tors. eta vs tors. theta energy: -129.055 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: 10 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1361.907213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.907213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.907213 (E_RNA) where: Base-Base interactions energy: -939.643 where: short stacking energy: -397.784 Base-Backbone interact. energy: -0.046 local terms energy: -422.217625 where: bonds (distance) C4'-P energy: -72.016 bonds (distance) P-C4' energy: -77.866 flat angles C4'-P-C4' energy: -89.421 flat angles P-C4'-P energy: -71.324 tors. eta vs tors. theta energy: -111.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1285.718514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.718514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.718514 (E_RNA) where: Base-Base interactions energy: -891.278 where: short stacking energy: -364.825 Base-Backbone interact. energy: -0.909 local terms energy: -393.531625 where: bonds (distance) C4'-P energy: -76.651 bonds (distance) P-C4' energy: -74.855 flat angles C4'-P-C4' energy: -90.681 flat angles P-C4'-P energy: -44.582 tors. eta vs tors. theta energy: -106.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1220.218492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.218492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.218492 (E_RNA) where: Base-Base interactions energy: -848.775 where: short stacking energy: -354.699 Base-Backbone interact. energy: -0.941 local terms energy: -370.502605 where: bonds (distance) C4'-P energy: -61.649 bonds (distance) P-C4' energy: -78.280 flat angles C4'-P-C4' energy: -74.829 flat angles P-C4'-P energy: -55.868 tors. eta vs tors. theta energy: -99.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1076.351851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.351851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.351851 (E_RNA) where: Base-Base interactions energy: -725.748 where: short stacking energy: -323.239 Base-Backbone interact. energy: -1.203 local terms energy: -349.400537 where: bonds (distance) C4'-P energy: -56.872 bonds (distance) P-C4' energy: -83.110 flat angles C4'-P-C4' energy: -79.299 flat angles P-C4'-P energy: -53.996 tors. eta vs tors. theta energy: -76.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1122.638437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.638437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.638437 (E_RNA) where: Base-Base interactions energy: -760.360 where: short stacking energy: -348.872 Base-Backbone interact. energy: -1.135 local terms energy: -361.143853 where: bonds (distance) C4'-P energy: -66.569 bonds (distance) P-C4' energy: -65.885 flat angles C4'-P-C4' energy: -81.223 flat angles P-C4'-P energy: -47.991 tors. eta vs tors. theta energy: -99.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -938.017065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.017065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.017065 (E_RNA) where: Base-Base interactions energy: -618.117 where: short stacking energy: -264.413 Base-Backbone interact. energy: -1.438 local terms energy: -318.462237 where: bonds (distance) C4'-P energy: -62.488 bonds (distance) P-C4' energy: -71.446 flat angles C4'-P-C4' energy: -72.642 flat angles P-C4'-P energy: -42.719 tors. eta vs tors. theta energy: -69.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -827.393810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.393810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.393810 (E_RNA) where: Base-Base interactions energy: -550.809 where: short stacking energy: -248.275 Base-Backbone interact. energy: 3.226 local terms energy: -279.810398 where: bonds (distance) C4'-P energy: -59.484 bonds (distance) P-C4' energy: -54.508 flat angles C4'-P-C4' energy: -63.723 flat angles P-C4'-P energy: -46.788 tors. eta vs tors. theta energy: -55.307 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: 2 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -578.111147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.111147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.111147 (E_RNA) where: Base-Base interactions energy: -341.737 where: short stacking energy: -154.566 Base-Backbone interact. energy: 0.635 local terms energy: -237.008948 where: bonds (distance) C4'-P energy: -59.561 bonds (distance) P-C4' energy: -71.112 flat angles C4'-P-C4' energy: -55.721 flat angles P-C4'-P energy: -37.459 tors. eta vs tors. theta energy: -13.156 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: 1 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -564.810091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.810091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.810091 (E_RNA) where: Base-Base interactions energy: -328.408 where: short stacking energy: -142.305 Base-Backbone interact. energy: 3.373 local terms energy: -239.775361 where: bonds (distance) C4'-P energy: -71.822 bonds (distance) P-C4' energy: -56.799 flat angles C4'-P-C4' energy: -71.766 flat angles P-C4'-P energy: -31.431 tors. eta vs tors. theta energy: -7.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1430.036874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.036874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.036874 (E_RNA) where: Base-Base interactions energy: -989.116 where: short stacking energy: -438.037 Base-Backbone interact. energy: -1.326 local terms energy: -439.595056 where: bonds (distance) C4'-P energy: -83.525 bonds (distance) P-C4' energy: -79.158 flat angles C4'-P-C4' energy: -79.361 flat angles P-C4'-P energy: -65.310 tors. eta vs tors. theta energy: -132.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1369.479836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.479836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.479836 (E_RNA) where: Base-Base interactions energy: -947.078 where: short stacking energy: -395.949 Base-Backbone interact. energy: -2.694 local terms energy: -419.708295 where: bonds (distance) C4'-P energy: -78.705 bonds (distance) P-C4' energy: -76.252 flat angles C4'-P-C4' energy: -87.498 flat angles P-C4'-P energy: -61.850 tors. eta vs tors. theta energy: -115.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1307.620508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.620508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.620508 (E_RNA) where: Base-Base interactions energy: -903.494 where: short stacking energy: -374.810 Base-Backbone interact. energy: -0.741 local terms energy: -403.385989 where: bonds (distance) C4'-P energy: -58.150 bonds (distance) P-C4' energy: -80.860 flat angles C4'-P-C4' energy: -96.086 flat angles P-C4'-P energy: -54.042 tors. eta vs tors. theta energy: -114.248 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: 8 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1276.777690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.777690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.777690 (E_RNA) where: Base-Base interactions energy: -871.065 where: short stacking energy: -372.061 Base-Backbone interact. energy: 0.854 local terms energy: -406.566742 where: bonds (distance) C4'-P energy: -68.788 bonds (distance) P-C4' energy: -84.400 flat angles C4'-P-C4' energy: -87.615 flat angles P-C4'-P energy: -53.440 tors. eta vs tors. theta energy: -112.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1155.584354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.584354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.584354 (E_RNA) where: Base-Base interactions energy: -786.393 where: short stacking energy: -334.315 Base-Backbone interact. energy: -0.544 local terms energy: -368.646898 where: bonds (distance) C4'-P energy: -58.624 bonds (distance) P-C4' energy: -84.387 flat angles C4'-P-C4' energy: -89.902 flat angles P-C4'-P energy: -40.880 tors. eta vs tors. theta energy: -94.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1067.013651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.013651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.013651 (E_RNA) where: Base-Base interactions energy: -711.403 where: short stacking energy: -319.534 Base-Backbone interact. energy: -0.591 local terms energy: -355.020030 where: bonds (distance) C4'-P energy: -62.176 bonds (distance) P-C4' energy: -72.046 flat angles C4'-P-C4' energy: -80.316 flat angles P-C4'-P energy: -54.591 tors. eta vs tors. theta energy: -85.891 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: 236 Temperature: 1.200000 Total energy: -884.890195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.890195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.890195 (E_RNA) where: Base-Base interactions energy: -568.002 where: short stacking energy: -259.990 Base-Backbone interact. energy: -3.106 local terms energy: -313.783111 where: bonds (distance) C4'-P energy: -57.686 bonds (distance) P-C4' energy: -78.032 flat angles C4'-P-C4' energy: -68.890 flat angles P-C4'-P energy: -48.922 tors. eta vs tors. theta energy: -60.253 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: 5 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -832.303384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.303384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.303384 (E_RNA) where: Base-Base interactions energy: -549.214 where: short stacking energy: -226.221 Base-Backbone interact. energy: -1.167 local terms energy: -281.922707 where: bonds (distance) C4'-P energy: -66.311 bonds (distance) P-C4' energy: -63.832 flat angles C4'-P-C4' energy: -60.083 flat angles P-C4'-P energy: -42.031 tors. eta vs tors. theta energy: -49.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -591.427182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.427182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.427182 (E_RNA) where: Base-Base interactions energy: -340.434 where: short stacking energy: -166.008 Base-Backbone interact. energy: 1.820 local terms energy: -252.813222 where: bonds (distance) C4'-P energy: -59.289 bonds (distance) P-C4' energy: -76.811 flat angles C4'-P-C4' energy: -62.181 flat angles P-C4'-P energy: -37.457 tors. eta vs tors. theta energy: -17.075 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: 10, replica: 1 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -659.757094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.757094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.757094 (E_RNA) where: Base-Base interactions energy: -413.330 where: short stacking energy: -190.446 Base-Backbone interact. energy: -0.405 local terms energy: -246.021984 where: bonds (distance) C4'-P energy: -55.940 bonds (distance) P-C4' energy: -77.618 flat angles C4'-P-C4' energy: -47.592 flat angles P-C4'-P energy: -35.654 tors. eta vs tors. theta energy: -29.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1435.422111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.422111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.422111 (E_RNA) where: Base-Base interactions energy: -1006.347 where: short stacking energy: -440.715 Base-Backbone interact. energy: -1.752 local terms energy: -427.323336 where: bonds (distance) C4'-P energy: -77.064 bonds (distance) P-C4' energy: -74.254 flat angles C4'-P-C4' energy: -87.345 flat angles P-C4'-P energy: -55.425 tors. eta vs tors. theta energy: -133.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1367.866204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.866204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.866204 (E_RNA) where: Base-Base interactions energy: -957.973 where: short stacking energy: -414.930 Base-Backbone interact. energy: -1.319 local terms energy: -408.573516 where: bonds (distance) C4'-P energy: -71.979 bonds (distance) P-C4' energy: -69.908 flat angles C4'-P-C4' energy: -85.946 flat angles P-C4'-P energy: -64.893 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: 3, replica: 3 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1290.384283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.384283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.384283 (E_RNA) where: Base-Base interactions energy: -888.549 where: short stacking energy: -366.099 Base-Backbone interact. energy: -1.212 local terms energy: -400.622986 where: bonds (distance) C4'-P energy: -71.321 bonds (distance) P-C4' energy: -77.573 flat angles C4'-P-C4' energy: -86.776 flat angles P-C4'-P energy: -52.789 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: 4, replica: 8 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1233.609510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.609510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.609510 (E_RNA) where: Base-Base interactions energy: -875.984 where: short stacking energy: -345.944 Base-Backbone interact. energy: -2.059 local terms energy: -355.566430 where: bonds (distance) C4'-P energy: -58.802 bonds (distance) P-C4' energy: -64.179 flat angles C4'-P-C4' energy: -84.803 flat angles P-C4'-P energy: -56.914 tors. eta vs tors. theta energy: -90.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1206.409008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.409008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.409008 (E_RNA) where: Base-Base interactions energy: -831.545 where: short stacking energy: -379.413 Base-Backbone interact. energy: -1.047 local terms energy: -373.817147 where: bonds (distance) C4'-P energy: -65.637 bonds (distance) P-C4' energy: -67.357 flat angles C4'-P-C4' energy: -76.843 flat angles P-C4'-P energy: -54.513 tors. eta vs tors. theta energy: -109.467 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: 4 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1021.053463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.053463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.053463 (E_RNA) where: Base-Base interactions energy: -690.235 where: short stacking energy: -302.300 Base-Backbone interact. energy: -1.155 local terms energy: -329.663181 where: bonds (distance) C4'-P energy: -66.930 bonds (distance) P-C4' energy: -71.021 flat angles C4'-P-C4' energy: -78.240 flat angles P-C4'-P energy: -41.631 tors. eta vs tors. theta energy: -71.842 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: 7 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -922.742191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.742191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.742191 (E_RNA) where: Base-Base interactions energy: -602.111 where: short stacking energy: -256.761 Base-Backbone interact. energy: 0.597 local terms energy: -321.227812 where: bonds (distance) C4'-P energy: -60.742 bonds (distance) P-C4' energy: -71.302 flat angles C4'-P-C4' energy: -80.941 flat angles P-C4'-P energy: -46.097 tors. eta vs tors. theta energy: -62.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -848.135921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.135921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.135921 (E_RNA) where: Base-Base interactions energy: -555.084 where: short stacking energy: -242.912 Base-Backbone interact. energy: -0.199 local terms energy: -292.852716 where: bonds (distance) C4'-P energy: -65.957 bonds (distance) P-C4' energy: -70.097 flat angles C4'-P-C4' energy: -59.198 flat angles P-C4'-P energy: -43.838 tors. eta vs tors. theta energy: -53.763 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: 9, replica: 2 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -611.084029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.084029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.084029 (E_RNA) where: Base-Base interactions energy: -356.550 where: short stacking energy: -183.032 Base-Backbone interact. energy: -2.182 local terms energy: -252.352016 where: bonds (distance) C4'-P energy: -59.939 bonds (distance) P-C4' energy: -63.669 flat angles C4'-P-C4' energy: -63.643 flat angles P-C4'-P energy: -39.860 tors. eta vs tors. theta energy: -25.241 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: 1 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -659.407054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.407054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.407054 (E_RNA) where: Base-Base interactions energy: -430.184 where: short stacking energy: -210.476 Base-Backbone interact. energy: 2.891 local terms energy: -232.114964 where: bonds (distance) C4'-P energy: -61.355 bonds (distance) P-C4' energy: -61.883 flat angles C4'-P-C4' energy: -54.016 flat angles P-C4'-P energy: -33.483 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: 10 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1401.724300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.724300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.724300 (E_RNA) where: Base-Base interactions energy: -966.820 where: short stacking energy: -411.677 Base-Backbone interact. energy: -3.420 local terms energy: -431.483696 where: bonds (distance) C4'-P energy: -85.020 bonds (distance) P-C4' energy: -79.062 flat angles C4'-P-C4' energy: -90.099 flat angles P-C4'-P energy: -62.406 tors. eta vs tors. theta energy: -114.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1398.329830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.329830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.329830 (E_RNA) where: Base-Base interactions energy: -956.968 where: short stacking energy: -438.052 Base-Backbone interact. energy: -2.950 local terms energy: -438.411803 where: bonds (distance) C4'-P energy: -76.996 bonds (distance) P-C4' energy: -75.153 flat angles C4'-P-C4' energy: -86.281 flat angles P-C4'-P energy: -70.654 tors. eta vs tors. theta energy: -129.328 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: 3, replica: 3 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1280.101611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.101611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.101611 (E_RNA) where: Base-Base interactions energy: -872.280 where: short stacking energy: -377.578 Base-Backbone interact. energy: -2.730 local terms energy: -405.091699 where: bonds (distance) C4'-P energy: -71.678 bonds (distance) P-C4' energy: -82.208 flat angles C4'-P-C4' energy: -83.466 flat angles P-C4'-P energy: -57.770 tors. eta vs tors. theta energy: -109.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1254.045785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.045785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.045785 (E_RNA) where: Base-Base interactions energy: -864.150 where: short stacking energy: -366.915 Base-Backbone interact. energy: -2.647 local terms energy: -387.249310 where: bonds (distance) C4'-P energy: -79.618 bonds (distance) P-C4' energy: -73.963 flat angles C4'-P-C4' energy: -82.604 flat angles P-C4'-P energy: -50.444 tors. eta vs tors. theta energy: -100.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1172.034844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.034844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.034844 (E_RNA) where: Base-Base interactions energy: -805.139 where: short stacking energy: -361.235 Base-Backbone interact. energy: -1.457 local terms energy: -365.439372 where: bonds (distance) C4'-P energy: -58.315 bonds (distance) P-C4' energy: -73.075 flat angles C4'-P-C4' energy: -79.428 flat angles P-C4'-P energy: -49.162 tors. eta vs tors. theta energy: -105.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1013.936715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.936715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.936715 (E_RNA) where: Base-Base interactions energy: -691.696 where: short stacking energy: -305.749 Base-Backbone interact. energy: 2.795 local terms energy: -325.035997 where: bonds (distance) C4'-P energy: -72.915 bonds (distance) P-C4' energy: -64.686 flat angles C4'-P-C4' energy: -72.975 flat angles P-C4'-P energy: -44.801 tors. eta vs tors. theta energy: -69.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -904.786150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.786150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.786150 (E_RNA) where: Base-Base interactions energy: -622.641 where: short stacking energy: -269.115 Base-Backbone interact. energy: -0.088 local terms energy: -282.057930 where: bonds (distance) C4'-P energy: -58.449 bonds (distance) P-C4' energy: -45.365 flat angles C4'-P-C4' energy: -77.395 flat angles P-C4'-P energy: -42.631 tors. eta vs tors. theta energy: -58.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -914.243248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.243248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.243248 (E_RNA) where: Base-Base interactions energy: -594.978 where: short stacking energy: -262.811 Base-Backbone interact. energy: -1.298 local terms energy: -317.966927 where: bonds (distance) C4'-P energy: -64.523 bonds (distance) P-C4' energy: -74.947 flat angles C4'-P-C4' energy: -70.304 flat angles P-C4'-P energy: -43.341 tors. eta vs tors. theta energy: -64.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -648.339489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.339489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.339489 (E_RNA) where: Base-Base interactions energy: -415.073 where: short stacking energy: -206.994 Base-Backbone interact. energy: 0.212 local terms energy: -233.478822 where: bonds (distance) C4'-P energy: -61.674 bonds (distance) P-C4' energy: -50.627 flat angles C4'-P-C4' energy: -63.913 flat angles P-C4'-P energy: -32.746 tors. eta vs tors. theta energy: -24.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -538.808120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.808120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.808120 (E_RNA) where: Base-Base interactions energy: -349.304 where: short stacking energy: -148.992 Base-Backbone interact. energy: -0.411 local terms energy: -189.093646 where: bonds (distance) C4'-P energy: -51.209 bonds (distance) P-C4' energy: -64.293 flat angles C4'-P-C4' energy: -53.485 flat angles P-C4'-P energy: -26.079 tors. eta vs tors. theta energy: 5.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1411.305311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.305311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.305311 (E_RNA) where: Base-Base interactions energy: -979.213 where: short stacking energy: -407.650 Base-Backbone interact. energy: -1.115 local terms energy: -430.977376 where: bonds (distance) C4'-P energy: -68.551 bonds (distance) P-C4' energy: -87.925 flat angles C4'-P-C4' energy: -96.476 flat angles P-C4'-P energy: -68.254 tors. eta vs tors. theta energy: -109.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1376.880567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.880567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.880567 (E_RNA) where: Base-Base interactions energy: -931.323 where: short stacking energy: -411.281 Base-Backbone interact. energy: -1.396 local terms energy: -444.161711 where: bonds (distance) C4'-P energy: -73.120 bonds (distance) P-C4' energy: -83.346 flat angles C4'-P-C4' energy: -88.874 flat angles P-C4'-P energy: -64.085 tors. eta vs tors. theta energy: -134.736 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: 3 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1285.110855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.110855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.110855 (E_RNA) where: Base-Base interactions energy: -906.206 where: short stacking energy: -392.998 Base-Backbone interact. energy: -0.620 local terms energy: -378.284025 where: bonds (distance) C4'-P energy: -58.366 bonds (distance) P-C4' energy: -68.026 flat angles C4'-P-C4' energy: -90.913 flat angles P-C4'-P energy: -57.031 tors. eta vs tors. theta energy: -103.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1245.623170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.623170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.623170 (E_RNA) where: Base-Base interactions energy: -858.166 where: short stacking energy: -365.048 Base-Backbone interact. energy: -0.387 local terms energy: -387.069604 where: bonds (distance) C4'-P energy: -67.480 bonds (distance) P-C4' energy: -71.143 flat angles C4'-P-C4' energy: -92.255 flat angles P-C4'-P energy: -54.393 tors. eta vs tors. theta energy: -101.799 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: 5, replica: 6 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1190.527640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.527640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.527640 (E_RNA) where: Base-Base interactions energy: -793.414 where: short stacking energy: -351.490 Base-Backbone interact. energy: -1.757 local terms energy: -395.356789 where: bonds (distance) C4'-P energy: -81.022 bonds (distance) P-C4' energy: -78.855 flat angles C4'-P-C4' energy: -77.045 flat angles P-C4'-P energy: -59.501 tors. eta vs tors. theta energy: -98.933 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: 6, replica: 4 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1047.994385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.994385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.994385 (E_RNA) where: Base-Base interactions energy: -697.300 where: short stacking energy: -322.967 Base-Backbone interact. energy: -0.329 local terms energy: -350.366044 where: bonds (distance) C4'-P energy: -61.152 bonds (distance) P-C4' energy: -71.830 flat angles C4'-P-C4' energy: -86.760 flat angles P-C4'-P energy: -54.166 tors. eta vs tors. theta energy: -76.458 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: 7 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -872.352114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.352114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.352114 (E_RNA) where: Base-Base interactions energy: -569.234 where: short stacking energy: -268.098 Base-Backbone interact. energy: -1.963 local terms energy: -301.155349 where: bonds (distance) C4'-P energy: -59.685 bonds (distance) P-C4' energy: -66.028 flat angles C4'-P-C4' energy: -69.297 flat angles P-C4'-P energy: -46.597 tors. eta vs tors. theta energy: -59.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -882.355685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.355685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.355685 (E_RNA) where: Base-Base interactions energy: -602.045 where: short stacking energy: -236.320 Base-Backbone interact. energy: 3.631 local terms energy: -283.942348 where: bonds (distance) C4'-P energy: -64.058 bonds (distance) P-C4' energy: -71.186 flat angles C4'-P-C4' energy: -64.629 flat angles P-C4'-P energy: -35.113 tors. eta vs tors. theta energy: -48.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -707.691545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.691545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.691545 (E_RNA) where: Base-Base interactions energy: -411.038 where: short stacking energy: -200.649 Base-Backbone interact. energy: -1.773 local terms energy: -294.880271 where: bonds (distance) C4'-P energy: -64.090 bonds (distance) P-C4' energy: -68.497 flat angles C4'-P-C4' energy: -85.379 flat angles P-C4'-P energy: -37.324 tors. eta vs tors. theta energy: -39.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -541.856074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.856074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.856074 (E_RNA) where: Base-Base interactions energy: -305.454 where: short stacking energy: -141.477 Base-Backbone interact. energy: -1.133 local terms energy: -235.268979 where: bonds (distance) C4'-P energy: -63.100 bonds (distance) P-C4' energy: -73.190 flat angles C4'-P-C4' energy: -51.207 flat angles P-C4'-P energy: -37.450 tors. eta vs tors. theta energy: -10.321 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: 9 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1408.313290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.313290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.313290 (E_RNA) where: Base-Base interactions energy: -971.189 where: short stacking energy: -427.961 Base-Backbone interact. energy: -3.176 local terms energy: -433.948306 where: bonds (distance) C4'-P energy: -80.280 bonds (distance) P-C4' energy: -73.052 flat angles C4'-P-C4' energy: -92.892 flat angles P-C4'-P energy: -60.344 tors. eta vs tors. theta energy: -127.380 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: 240 Temperature: 0.950000 Total energy: -1378.625508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.625508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.625508 (E_RNA) where: Base-Base interactions energy: -960.578 where: short stacking energy: -407.453 Base-Backbone interact. energy: -0.045 local terms energy: -418.002709 where: bonds (distance) C4'-P energy: -59.939 bonds (distance) P-C4' energy: -77.224 flat angles C4'-P-C4' energy: -97.852 flat angles P-C4'-P energy: -69.459 tors. eta vs tors. theta energy: -113.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1278.120460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.120460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.120460 (E_RNA) where: Base-Base interactions energy: -876.514 where: short stacking energy: -374.650 Base-Backbone interact. energy: -4.232 local terms energy: -397.374683 where: bonds (distance) C4'-P energy: -74.335 bonds (distance) P-C4' energy: -76.889 flat angles C4'-P-C4' energy: -87.255 flat angles P-C4'-P energy: -58.337 tors. eta vs tors. theta energy: -100.559 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: 8 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1248.903647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.903647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.903647 (E_RNA) where: Base-Base interactions energy: -862.024 where: short stacking energy: -359.969 Base-Backbone interact. energy: -2.309 local terms energy: -384.569835 where: bonds (distance) C4'-P energy: -58.763 bonds (distance) P-C4' energy: -69.810 flat angles C4'-P-C4' energy: -90.860 flat angles P-C4'-P energy: -53.784 tors. eta vs tors. theta energy: -111.354 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: 6 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1203.917541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.917541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.917541 (E_RNA) where: Base-Base interactions energy: -809.375 where: short stacking energy: -365.013 Base-Backbone interact. energy: -0.731 local terms energy: -393.810950 where: bonds (distance) C4'-P energy: -66.435 bonds (distance) P-C4' energy: -78.245 flat angles C4'-P-C4' energy: -93.800 flat angles P-C4'-P energy: -55.716 tors. eta vs tors. theta energy: -99.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1040.735958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.735958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.735958 (E_RNA) where: Base-Base interactions energy: -699.252 where: short stacking energy: -305.007 Base-Backbone interact. energy: 0.469 local terms energy: -341.953181 where: bonds (distance) C4'-P energy: -69.216 bonds (distance) P-C4' energy: -74.030 flat angles C4'-P-C4' energy: -77.360 flat angles P-C4'-P energy: -56.038 tors. eta vs tors. theta energy: -65.310 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: 7 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -909.260209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.260209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.260209 (E_RNA) where: Base-Base interactions energy: -600.083 where: short stacking energy: -251.621 Base-Backbone interact. energy: -0.188 local terms energy: -308.989581 where: bonds (distance) C4'-P energy: -57.682 bonds (distance) P-C4' energy: -74.325 flat angles C4'-P-C4' energy: -67.950 flat angles P-C4'-P energy: -52.694 tors. eta vs tors. theta energy: -56.339 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: 5 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -830.074338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.074338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.074338 (E_RNA) where: Base-Base interactions energy: -542.479 where: short stacking energy: -252.022 Base-Backbone interact. energy: -1.101 local terms energy: -286.494342 where: bonds (distance) C4'-P energy: -60.600 bonds (distance) P-C4' energy: -53.883 flat angles C4'-P-C4' energy: -71.975 flat angles P-C4'-P energy: -47.381 tors. eta vs tors. theta energy: -52.655 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: 240 Temperature: 1.300000 Total energy: -665.454776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.454776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.454776 (E_RNA) where: Base-Base interactions energy: -427.684 where: short stacking energy: -205.479 Base-Backbone interact. energy: -0.763 local terms energy: -237.007863 where: bonds (distance) C4'-P energy: -71.352 bonds (distance) P-C4' energy: -52.943 flat angles C4'-P-C4' energy: -65.910 flat angles P-C4'-P energy: -21.182 tors. eta vs tors. theta energy: -25.621 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: 2 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -578.973372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.973372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.973372 (E_RNA) where: Base-Base interactions energy: -328.865 where: short stacking energy: -161.035 Base-Backbone interact. energy: -3.075 local terms energy: -247.033246 where: bonds (distance) C4'-P energy: -62.254 bonds (distance) P-C4' energy: -59.572 flat angles C4'-P-C4' energy: -56.386 flat angles P-C4'-P energy: -43.536 tors. eta vs tors. theta energy: -25.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1397.673431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.673431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.673431 (E_RNA) where: Base-Base interactions energy: -955.874 where: short stacking energy: -424.887 Base-Backbone interact. energy: -1.243 local terms energy: -440.555983 where: bonds (distance) C4'-P energy: -87.283 bonds (distance) P-C4' energy: -80.418 flat angles C4'-P-C4' energy: -87.645 flat angles P-C4'-P energy: -60.247 tors. eta vs tors. theta energy: -124.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1310.545638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.545638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.545638 (E_RNA) where: Base-Base interactions energy: -905.706 where: short stacking energy: -373.314 Base-Backbone interact. energy: -1.644 local terms energy: -403.195895 where: bonds (distance) C4'-P energy: -76.092 bonds (distance) P-C4' energy: -81.927 flat angles C4'-P-C4' energy: -80.573 flat angles P-C4'-P energy: -57.964 tors. eta vs tors. theta energy: -106.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1329.889354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.889354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.889354 (E_RNA) where: Base-Base interactions energy: -909.279 where: short stacking energy: -391.728 Base-Backbone interact. energy: -1.270 local terms energy: -419.340491 where: bonds (distance) C4'-P energy: -74.415 bonds (distance) P-C4' energy: -82.002 flat angles C4'-P-C4' energy: -89.676 flat angles P-C4'-P energy: -61.926 tors. eta vs tors. theta energy: -111.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1211.080482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.080482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.080482 (E_RNA) where: Base-Base interactions energy: -835.630 where: short stacking energy: -365.958 Base-Backbone interact. energy: -1.356 local terms energy: -374.094593 where: bonds (distance) C4'-P energy: -68.895 bonds (distance) P-C4' energy: -74.068 flat angles C4'-P-C4' energy: -79.088 flat angles P-C4'-P energy: -48.934 tors. eta vs tors. theta energy: -103.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1212.642625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.642625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.642625 (E_RNA) where: Base-Base interactions energy: -823.159 where: short stacking energy: -356.416 Base-Backbone interact. energy: -1.326 local terms energy: -388.157488 where: bonds (distance) C4'-P energy: -70.675 bonds (distance) P-C4' energy: -71.342 flat angles C4'-P-C4' energy: -85.723 flat angles P-C4'-P energy: -62.398 tors. eta vs tors. theta energy: -98.019 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: 4 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1034.548615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.548615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.548615 (E_RNA) where: Base-Base interactions energy: -704.885 where: short stacking energy: -318.346 Base-Backbone interact. energy: 3.138 local terms energy: -332.801676 where: bonds (distance) C4'-P energy: -65.500 bonds (distance) P-C4' energy: -69.340 flat angles C4'-P-C4' energy: -73.611 flat angles P-C4'-P energy: -48.913 tors. eta vs tors. theta energy: -75.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -922.035115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.035115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.035115 (E_RNA) where: Base-Base interactions energy: -613.659 where: short stacking energy: -264.685 Base-Backbone interact. energy: -1.025 local terms energy: -307.350995 where: bonds (distance) C4'-P energy: -51.766 bonds (distance) P-C4' energy: -66.988 flat angles C4'-P-C4' energy: -74.726 flat angles P-C4'-P energy: -48.904 tors. eta vs tors. theta energy: -64.968 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: 8, replica: 5 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -802.984883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.984883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.984883 (E_RNA) where: Base-Base interactions energy: -565.102 where: short stacking energy: -243.683 Base-Backbone interact. energy: 1.352 local terms energy: -239.234882 where: bonds (distance) C4'-P energy: -46.073 bonds (distance) P-C4' energy: -54.051 flat angles C4'-P-C4' energy: -63.871 flat angles P-C4'-P energy: -41.863 tors. eta vs tors. theta energy: -33.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -677.406341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.406341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.406341 (E_RNA) where: Base-Base interactions energy: -431.956 where: short stacking energy: -219.381 Base-Backbone interact. energy: 0.541 local terms energy: -245.991292 where: bonds (distance) C4'-P energy: -64.553 bonds (distance) P-C4' energy: -56.726 flat angles C4'-P-C4' energy: -49.554 flat angles P-C4'-P energy: -33.407 tors. eta vs tors. theta energy: -41.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -587.517389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.517389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.517389 (E_RNA) where: Base-Base interactions energy: -326.511 where: short stacking energy: -178.929 Base-Backbone interact. energy: -0.485 local terms energy: -260.522250 where: bonds (distance) C4'-P energy: -63.501 bonds (distance) P-C4' energy: -79.823 flat angles C4'-P-C4' energy: -57.003 flat angles P-C4'-P energy: -44.874 tors. eta vs tors. theta energy: -15.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1421.325698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.325698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.325698 (E_RNA) where: Base-Base interactions energy: -973.579 where: short stacking energy: -443.925 Base-Backbone interact. energy: 0.738 local terms energy: -448.484014 where: bonds (distance) C4'-P energy: -79.256 bonds (distance) P-C4' energy: -79.988 flat angles C4'-P-C4' energy: -84.899 flat angles P-C4'-P energy: -67.837 tors. eta vs tors. theta energy: -136.504 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: 3 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1306.766056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.766056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.766056 (E_RNA) where: Base-Base interactions energy: -908.618 where: short stacking energy: -367.388 Base-Backbone interact. energy: -1.666 local terms energy: -396.482471 where: bonds (distance) C4'-P energy: -72.422 bonds (distance) P-C4' energy: -77.301 flat angles C4'-P-C4' energy: -88.790 flat angles P-C4'-P energy: -58.990 tors. eta vs tors. theta energy: -98.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1340.754133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.754133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.754133 (E_RNA) where: Base-Base interactions energy: -933.968 where: short stacking energy: -405.689 Base-Backbone interact. energy: 0.768 local terms energy: -407.554275 where: bonds (distance) C4'-P energy: -71.969 bonds (distance) P-C4' energy: -71.788 flat angles C4'-P-C4' energy: -85.590 flat angles P-C4'-P energy: -54.756 tors. eta vs tors. theta energy: -123.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1229.382347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.382347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.382347 (E_RNA) where: Base-Base interactions energy: -849.986 where: short stacking energy: -377.839 Base-Backbone interact. energy: -1.211 local terms energy: -378.184528 where: bonds (distance) C4'-P energy: -67.261 bonds (distance) P-C4' energy: -60.861 flat angles C4'-P-C4' energy: -77.882 flat angles P-C4'-P energy: -60.947 tors. eta vs tors. theta energy: -111.233 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: 8 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1219.355676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.355676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.355676 (E_RNA) where: Base-Base interactions energy: -858.256 where: short stacking energy: -353.961 Base-Backbone interact. energy: -2.711 local terms energy: -358.388724 where: bonds (distance) C4'-P energy: -64.412 bonds (distance) P-C4' energy: -62.461 flat angles C4'-P-C4' energy: -78.584 flat angles P-C4'-P energy: -63.541 tors. eta vs tors. theta energy: -89.391 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: 4 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1051.443314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.443314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.443314 (E_RNA) where: Base-Base interactions energy: -729.966 where: short stacking energy: -322.571 Base-Backbone interact. energy: 4.852 local terms energy: -326.329448 where: bonds (distance) C4'-P energy: -63.671 bonds (distance) P-C4' energy: -76.901 flat angles C4'-P-C4' energy: -64.016 flat angles P-C4'-P energy: -46.449 tors. eta vs tors. theta energy: -75.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -897.183192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.183192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.183192 (E_RNA) where: Base-Base interactions energy: -594.269 where: short stacking energy: -269.042 Base-Backbone interact. energy: -1.374 local terms energy: -301.540504 where: bonds (distance) C4'-P energy: -72.787 bonds (distance) P-C4' energy: -63.744 flat angles C4'-P-C4' energy: -69.138 flat angles P-C4'-P energy: -36.898 tors. eta vs tors. theta energy: -58.973 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: 5 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -810.228810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.228810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.228810 (E_RNA) where: Base-Base interactions energy: -521.198 where: short stacking energy: -237.616 Base-Backbone interact. energy: 0.625 local terms energy: -289.655535 where: bonds (distance) C4'-P energy: -62.305 bonds (distance) P-C4' energy: -61.428 flat angles C4'-P-C4' energy: -68.782 flat angles P-C4'-P energy: -51.537 tors. eta vs tors. theta energy: -45.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -661.386766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.386766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.386766 (E_RNA) where: Base-Base interactions energy: -388.844 where: short stacking energy: -195.150 Base-Backbone interact. energy: -0.742 local terms energy: -271.800827 where: bonds (distance) C4'-P energy: -75.242 bonds (distance) P-C4' energy: -70.949 flat angles C4'-P-C4' energy: -63.271 flat angles P-C4'-P energy: -27.409 tors. eta vs tors. theta energy: -34.929 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: 2 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -545.164064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.164064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.164064 (E_RNA) where: Base-Base interactions energy: -313.674 where: short stacking energy: -150.641 Base-Backbone interact. energy: -0.232 local terms energy: -231.257423 where: bonds (distance) C4'-P energy: -42.629 bonds (distance) P-C4' energy: -72.271 flat angles C4'-P-C4' energy: -66.076 flat angles P-C4'-P energy: -39.587 tors. eta vs tors. theta energy: -10.694 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: 9 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1401.122606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.122606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.122606 (E_RNA) where: Base-Base interactions energy: -970.019 where: short stacking energy: -438.494 Base-Backbone interact. energy: 0.712 local terms energy: -431.815515 where: bonds (distance) C4'-P energy: -76.787 bonds (distance) P-C4' energy: -73.276 flat angles C4'-P-C4' energy: -88.337 flat angles P-C4'-P energy: -58.383 tors. eta vs tors. theta energy: -135.032 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: 2, replica: 3 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1333.583025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.583025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.583025 (E_RNA) where: Base-Base interactions energy: -918.715 where: short stacking energy: -372.917 Base-Backbone interact. energy: -1.285 local terms energy: -413.582637 where: bonds (distance) C4'-P energy: -78.233 bonds (distance) P-C4' energy: -78.117 flat angles C4'-P-C4' energy: -81.213 flat angles P-C4'-P energy: -65.611 tors. eta vs tors. theta energy: -110.409 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: 10 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1339.097105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.097105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.097105 (E_RNA) where: Base-Base interactions energy: -926.200 where: short stacking energy: -414.713 Base-Backbone interact. energy: -1.335 local terms energy: -411.562373 where: bonds (distance) C4'-P energy: -69.683 bonds (distance) P-C4' energy: -74.007 flat angles C4'-P-C4' energy: -92.801 flat angles P-C4'-P energy: -53.382 tors. eta vs tors. theta energy: -121.690 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: 6 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1237.939627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.939627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.939627 (E_RNA) where: Base-Base interactions energy: -841.324 where: short stacking energy: -361.641 Base-Backbone interact. energy: -2.015 local terms energy: -394.599865 where: bonds (distance) C4'-P energy: -79.954 bonds (distance) P-C4' energy: -79.028 flat angles C4'-P-C4' energy: -80.713 flat angles P-C4'-P energy: -51.243 tors. eta vs tors. theta energy: -103.662 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: 8 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1204.435120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.435120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.435120 (E_RNA) where: Base-Base interactions energy: -823.811 where: short stacking energy: -324.266 Base-Backbone interact. energy: -2.536 local terms energy: -378.087841 where: bonds (distance) C4'-P energy: -70.963 bonds (distance) P-C4' energy: -70.625 flat angles C4'-P-C4' energy: -84.594 flat angles P-C4'-P energy: -61.117 tors. eta vs tors. theta energy: -90.790 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: 6, replica: 4 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1053.709170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.709170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.709170 (E_RNA) where: Base-Base interactions energy: -697.408 where: short stacking energy: -314.834 Base-Backbone interact. energy: -0.809 local terms energy: -355.492723 where: bonds (distance) C4'-P energy: -85.949 bonds (distance) P-C4' energy: -67.366 flat angles C4'-P-C4' energy: -69.754 flat angles P-C4'-P energy: -49.259 tors. eta vs tors. theta energy: -83.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -914.337394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.337394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.337394 (E_RNA) where: Base-Base interactions energy: -610.829 where: short stacking energy: -261.823 Base-Backbone interact. energy: -2.750 local terms energy: -300.758570 where: bonds (distance) C4'-P energy: -54.692 bonds (distance) P-C4' energy: -78.200 flat angles C4'-P-C4' energy: -69.105 flat angles P-C4'-P energy: -44.599 tors. eta vs tors. theta energy: -54.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -806.411860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.411860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.411860 (E_RNA) where: Base-Base interactions energy: -519.585 where: short stacking energy: -257.967 Base-Backbone interact. energy: -0.907 local terms energy: -285.919635 where: bonds (distance) C4'-P energy: -63.552 bonds (distance) P-C4' energy: -59.086 flat angles C4'-P-C4' energy: -61.676 flat angles P-C4'-P energy: -42.259 tors. eta vs tors. theta energy: -59.347 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: 243 Temperature: 1.300000 Total energy: -673.112585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.112585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.112585 (E_RNA) where: Base-Base interactions energy: -411.132 where: short stacking energy: -179.640 Base-Backbone interact. energy: 1.022 local terms energy: -263.002211 where: bonds (distance) C4'-P energy: -56.627 bonds (distance) P-C4' energy: -70.951 flat angles C4'-P-C4' energy: -67.834 flat angles P-C4'-P energy: -45.626 tors. eta vs tors. theta energy: -21.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -551.351060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.351060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.351060 (E_RNA) where: Base-Base interactions energy: -311.130 where: short stacking energy: -164.082 Base-Backbone interact. energy: 0.431 local terms energy: -240.651483 where: bonds (distance) C4'-P energy: -67.215 bonds (distance) P-C4' energy: -64.962 flat angles C4'-P-C4' energy: -52.985 flat angles P-C4'-P energy: -45.107 tors. eta vs tors. theta energy: -10.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1429.491065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.491065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.491065 (E_RNA) where: Base-Base interactions energy: -985.852 where: short stacking energy: -456.438 Base-Backbone interact. energy: -1.881 local terms energy: -441.758261 where: bonds (distance) C4'-P energy: -79.816 bonds (distance) P-C4' energy: -84.581 flat angles C4'-P-C4' energy: -89.201 flat angles P-C4'-P energy: -54.160 tors. eta vs tors. theta energy: -134.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1350.938745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.938745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.938745 (E_RNA) where: Base-Base interactions energy: -933.173 where: short stacking energy: -380.693 Base-Backbone interact. energy: -0.859 local terms energy: -416.906679 where: bonds (distance) C4'-P energy: -64.944 bonds (distance) P-C4' energy: -81.414 flat angles C4'-P-C4' energy: -93.432 flat angles P-C4'-P energy: -67.633 tors. eta vs tors. theta energy: -109.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1309.718882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.718882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.718882 (E_RNA) where: Base-Base interactions energy: -904.382 where: short stacking energy: -378.941 Base-Backbone interact. energy: -1.507 local terms energy: -403.829660 where: bonds (distance) C4'-P energy: -70.579 bonds (distance) P-C4' energy: -83.463 flat angles C4'-P-C4' energy: -82.846 flat angles P-C4'-P energy: -53.367 tors. eta vs tors. theta energy: -113.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1265.573954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.573954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.573954 (E_RNA) where: Base-Base interactions energy: -865.618 where: short stacking energy: -394.505 Base-Backbone interact. energy: 1.945 local terms energy: -401.901653 where: bonds (distance) C4'-P energy: -70.147 bonds (distance) P-C4' energy: -76.656 flat angles C4'-P-C4' energy: -88.432 flat angles P-C4'-P energy: -55.928 tors. eta vs tors. theta energy: -110.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1160.972571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.972571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.972571 (E_RNA) where: Base-Base interactions energy: -799.378 where: short stacking energy: -345.864 Base-Backbone interact. energy: -5.406 local terms energy: -356.188419 where: bonds (distance) C4'-P energy: -68.758 bonds (distance) P-C4' energy: -64.537 flat angles C4'-P-C4' energy: -80.364 flat angles P-C4'-P energy: -46.643 tors. eta vs tors. theta energy: -95.888 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: 4 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1047.941538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.941538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.941538 (E_RNA) where: Base-Base interactions energy: -700.669 where: short stacking energy: -321.684 Base-Backbone interact. energy: -1.840 local terms energy: -345.432415 where: bonds (distance) C4'-P energy: -75.286 bonds (distance) P-C4' energy: -65.454 flat angles C4'-P-C4' energy: -83.515 flat angles P-C4'-P energy: -47.270 tors. eta vs tors. theta energy: -73.908 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: 7 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -932.227548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.227548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.227548 (E_RNA) where: Base-Base interactions energy: -606.325 where: short stacking energy: -275.058 Base-Backbone interact. energy: -2.162 local terms energy: -323.740622 where: bonds (distance) C4'-P energy: -65.603 bonds (distance) P-C4' energy: -77.603 flat angles C4'-P-C4' energy: -68.161 flat angles P-C4'-P energy: -45.664 tors. eta vs tors. theta energy: -66.710 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: 5 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -865.386854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.386854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.386854 (E_RNA) where: Base-Base interactions energy: -573.963 where: short stacking energy: -250.851 Base-Backbone interact. energy: -1.030 local terms energy: -290.394496 where: bonds (distance) C4'-P energy: -59.371 bonds (distance) P-C4' energy: -61.000 flat angles C4'-P-C4' energy: -66.683 flat angles P-C4'-P energy: -45.731 tors. eta vs tors. theta energy: -57.609 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: 9, replica: 1 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -704.153994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.153994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.153994 (E_RNA) where: Base-Base interactions energy: -433.988 where: short stacking energy: -212.767 Base-Backbone interact. energy: -0.705 local terms energy: -269.461310 where: bonds (distance) C4'-P energy: -56.178 bonds (distance) P-C4' energy: -62.688 flat angles C4'-P-C4' energy: -63.006 flat angles P-C4'-P energy: -42.966 tors. eta vs tors. theta energy: -44.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -560.888809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.888809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.888809 (E_RNA) where: Base-Base interactions energy: -319.638 where: short stacking energy: -143.812 Base-Backbone interact. energy: 0.651 local terms energy: -241.901837 where: bonds (distance) C4'-P energy: -56.973 bonds (distance) P-C4' energy: -71.144 flat angles C4'-P-C4' energy: -59.754 flat angles P-C4'-P energy: -39.467 tors. eta vs tors. theta energy: -14.563 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: 1, replica: 9 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1418.620015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.620015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.620015 (E_RNA) where: Base-Base interactions energy: -961.494 where: short stacking energy: -432.060 Base-Backbone interact. energy: -2.306 local terms energy: -454.820418 where: bonds (distance) C4'-P energy: -74.794 bonds (distance) P-C4' energy: -85.998 flat angles C4'-P-C4' energy: -91.245 flat angles P-C4'-P energy: -63.785 tors. eta vs tors. theta energy: -138.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1355.491591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.491591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.491591 (E_RNA) where: Base-Base interactions energy: -932.772 where: short stacking energy: -410.032 Base-Backbone interact. energy: -2.958 local terms energy: -419.761585 where: bonds (distance) C4'-P energy: -68.795 bonds (distance) P-C4' energy: -74.816 flat angles C4'-P-C4' energy: -90.844 flat angles P-C4'-P energy: -68.516 tors. eta vs tors. theta energy: -116.791 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: 3 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1277.780440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.780440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.780440 (E_RNA) where: Base-Base interactions energy: -912.390 where: short stacking energy: -372.977 Base-Backbone interact. energy: -2.878 local terms energy: -362.512337 where: bonds (distance) C4'-P energy: -72.322 bonds (distance) P-C4' energy: -58.290 flat angles C4'-P-C4' energy: -83.126 flat angles P-C4'-P energy: -55.167 tors. eta vs tors. theta energy: -93.607 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: 6 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1245.975858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.975858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.975858 (E_RNA) where: Base-Base interactions energy: -848.402 where: short stacking energy: -367.808 Base-Backbone interact. energy: -1.222 local terms energy: -396.350892 where: bonds (distance) C4'-P energy: -68.330 bonds (distance) P-C4' energy: -75.762 flat angles C4'-P-C4' energy: -81.735 flat angles P-C4'-P energy: -56.548 tors. eta vs tors. theta energy: -113.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1201.329911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.329911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.329911 (E_RNA) where: Base-Base interactions energy: -808.970 where: short stacking energy: -331.238 Base-Backbone interact. energy: -1.572 local terms energy: -390.788156 where: bonds (distance) C4'-P energy: -74.785 bonds (distance) P-C4' energy: -72.241 flat angles C4'-P-C4' energy: -88.271 flat angles P-C4'-P energy: -58.545 tors. eta vs tors. theta energy: -96.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1059.512027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.512027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.512027 (E_RNA) where: Base-Base interactions energy: -705.294 where: short stacking energy: -321.238 Base-Backbone interact. energy: 0.877 local terms energy: -355.094603 where: bonds (distance) C4'-P energy: -68.078 bonds (distance) P-C4' energy: -74.132 flat angles C4'-P-C4' energy: -84.074 flat angles P-C4'-P energy: -46.814 tors. eta vs tors. theta energy: -81.996 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: 7, replica: 7 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -897.375780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.375780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.375780 (E_RNA) where: Base-Base interactions energy: -582.749 where: short stacking energy: -256.694 Base-Backbone interact. energy: -1.782 local terms energy: -312.844054 where: bonds (distance) C4'-P energy: -66.782 bonds (distance) P-C4' energy: -77.547 flat angles C4'-P-C4' energy: -62.206 flat angles P-C4'-P energy: -36.816 tors. eta vs tors. theta energy: -69.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -862.854436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.854436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.854436 (E_RNA) where: Base-Base interactions energy: -579.429 where: short stacking energy: -249.119 Base-Backbone interact. energy: 2.413 local terms energy: -285.837525 where: bonds (distance) C4'-P energy: -70.592 bonds (distance) P-C4' energy: -60.272 flat angles C4'-P-C4' energy: -60.780 flat angles P-C4'-P energy: -41.496 tors. eta vs tors. theta energy: -52.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -703.038108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.038108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.038108 (E_RNA) where: Base-Base interactions energy: -417.385 where: short stacking energy: -204.862 Base-Backbone interact. energy: -2.393 local terms energy: -283.260407 where: bonds (distance) C4'-P energy: -56.620 bonds (distance) P-C4' energy: -66.023 flat angles C4'-P-C4' energy: -75.275 flat angles P-C4'-P energy: -44.201 tors. eta vs tors. theta energy: -41.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -596.595235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.595235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.595235 (E_RNA) where: Base-Base interactions energy: -348.704 where: short stacking energy: -174.408 Base-Backbone interact. energy: 2.009 local terms energy: -249.900410 where: bonds (distance) C4'-P energy: -69.452 bonds (distance) P-C4' energy: -64.080 flat angles C4'-P-C4' energy: -57.997 flat angles P-C4'-P energy: -45.047 tors. eta vs tors. theta energy: -13.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1423.212667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.212667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.212667 (E_RNA) where: Base-Base interactions energy: -976.530 where: short stacking energy: -440.358 Base-Backbone interact. energy: -1.396 local terms energy: -445.287129 where: bonds (distance) C4'-P energy: -75.859 bonds (distance) P-C4' energy: -73.553 flat angles C4'-P-C4' energy: -95.171 flat angles P-C4'-P energy: -64.975 tors. eta vs tors. theta energy: -135.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1354.054850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.054850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.054850 (E_RNA) where: Base-Base interactions energy: -939.816 where: short stacking energy: -408.690 Base-Backbone interact. energy: -2.246 local terms energy: -411.992322 where: bonds (distance) C4'-P energy: -72.812 bonds (distance) P-C4' energy: -65.763 flat angles C4'-P-C4' energy: -88.689 flat angles P-C4'-P energy: -66.908 tors. eta vs tors. theta energy: -117.821 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: 3 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1307.046721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.046721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.046721 (E_RNA) where: Base-Base interactions energy: -897.351 where: short stacking energy: -375.430 Base-Backbone interact. energy: -1.183 local terms energy: -408.512741 where: bonds (distance) C4'-P energy: -71.693 bonds (distance) P-C4' energy: -81.736 flat angles C4'-P-C4' energy: -89.526 flat angles P-C4'-P energy: -60.983 tors. eta vs tors. theta energy: -104.575 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: 4, replica: 6 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1253.155418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.155418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.155418 (E_RNA) where: Base-Base interactions energy: -849.703 where: short stacking energy: -360.519 Base-Backbone interact. energy: -0.755 local terms energy: -402.697200 where: bonds (distance) C4'-P energy: -83.258 bonds (distance) P-C4' energy: -70.147 flat angles C4'-P-C4' energy: -84.577 flat angles P-C4'-P energy: -55.497 tors. eta vs tors. theta energy: -109.219 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: 8 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1198.511125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.511125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.511125 (E_RNA) where: Base-Base interactions energy: -831.414 where: short stacking energy: -335.386 Base-Backbone interact. energy: -4.794 local terms energy: -362.303478 where: bonds (distance) C4'-P energy: -61.425 bonds (distance) P-C4' energy: -66.189 flat angles C4'-P-C4' energy: -79.105 flat angles P-C4'-P energy: -50.352 tors. eta vs tors. theta energy: -105.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1056.158098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.158098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.158098 (E_RNA) where: Base-Base interactions energy: -710.916 where: short stacking energy: -293.027 Base-Backbone interact. energy: -0.954 local terms energy: -344.288417 where: bonds (distance) C4'-P energy: -75.413 bonds (distance) P-C4' energy: -69.815 flat angles C4'-P-C4' energy: -78.625 flat angles P-C4'-P energy: -48.897 tors. eta vs tors. theta energy: -71.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -905.679019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.679019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.679019 (E_RNA) where: Base-Base interactions energy: -579.875 where: short stacking energy: -237.418 Base-Backbone interact. energy: 0.541 local terms energy: -326.345316 where: bonds (distance) C4'-P energy: -71.020 bonds (distance) P-C4' energy: -74.811 flat angles C4'-P-C4' energy: -75.903 flat angles P-C4'-P energy: -52.361 tors. eta vs tors. theta energy: -52.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -881.342839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.342839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.342839 (E_RNA) where: Base-Base interactions energy: -562.600 where: short stacking energy: -274.390 Base-Backbone interact. energy: -2.138 local terms energy: -316.605190 where: bonds (distance) C4'-P energy: -59.195 bonds (distance) P-C4' energy: -68.407 flat angles C4'-P-C4' energy: -73.040 flat angles P-C4'-P energy: -49.151 tors. eta vs tors. theta energy: -66.813 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: 246 Temperature: 1.300000 Total energy: -637.073741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.073741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.073741 (E_RNA) where: Base-Base interactions energy: -377.827 where: short stacking energy: -182.304 Base-Backbone interact. energy: 3.210 local terms energy: -262.456631 where: bonds (distance) C4'-P energy: -72.719 bonds (distance) P-C4' energy: -75.821 flat angles C4'-P-C4' energy: -55.441 flat angles P-C4'-P energy: -38.803 tors. eta vs tors. theta energy: -19.672 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: 2 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -547.536522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.536522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.536522 (E_RNA) where: Base-Base interactions energy: -309.880 where: short stacking energy: -162.722 Base-Backbone interact. energy: -0.271 local terms energy: -237.385138 where: bonds (distance) C4'-P energy: -63.787 bonds (distance) P-C4' energy: -73.756 flat angles C4'-P-C4' energy: -54.149 flat angles P-C4'-P energy: -43.879 tors. eta vs tors. theta energy: -1.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1408.089849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.089849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.089849 (E_RNA) where: Base-Base interactions energy: -966.270 where: short stacking energy: -418.184 Base-Backbone interact. energy: -2.623 local terms energy: -439.197679 where: bonds (distance) C4'-P energy: -74.840 bonds (distance) P-C4' energy: -84.174 flat angles C4'-P-C4' energy: -92.590 flat angles P-C4'-P energy: -56.324 tors. eta vs tors. theta energy: -131.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1363.952412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.952412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.952412 (E_RNA) where: Base-Base interactions energy: -945.657 where: short stacking energy: -414.956 Base-Backbone interact. energy: -0.489 local terms energy: -417.806406 where: bonds (distance) C4'-P energy: -72.704 bonds (distance) P-C4' energy: -76.417 flat angles C4'-P-C4' energy: -93.188 flat angles P-C4'-P energy: -59.706 tors. eta vs tors. theta energy: -115.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1273.519970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.519970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.519970 (E_RNA) where: Base-Base interactions energy: -888.401 where: short stacking energy: -335.935 Base-Backbone interact. energy: -4.234 local terms energy: -380.885016 where: bonds (distance) C4'-P energy: -75.345 bonds (distance) P-C4' energy: -85.627 flat angles C4'-P-C4' energy: -72.880 flat angles P-C4'-P energy: -57.837 tors. eta vs tors. theta energy: -89.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1249.479939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.479939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.479939 (E_RNA) where: Base-Base interactions energy: -864.017 where: short stacking energy: -370.056 Base-Backbone interact. energy: -1.614 local terms energy: -383.849163 where: bonds (distance) C4'-P energy: -57.551 bonds (distance) P-C4' energy: -69.688 flat angles C4'-P-C4' energy: -81.549 flat angles P-C4'-P energy: -60.225 tors. eta vs tors. theta energy: -114.837 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: 5, replica: 8 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1186.240520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.240520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.240520 (E_RNA) where: Base-Base interactions energy: -801.990 where: short stacking energy: -342.313 Base-Backbone interact. energy: -2.025 local terms energy: -382.225824 where: bonds (distance) C4'-P energy: -68.158 bonds (distance) P-C4' energy: -74.887 flat angles C4'-P-C4' energy: -85.461 flat angles P-C4'-P energy: -54.872 tors. eta vs tors. theta energy: -98.849 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: 4 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1059.796000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.796000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.796000 (E_RNA) where: Base-Base interactions energy: -697.457 where: short stacking energy: -318.120 Base-Backbone interact. energy: 1.082 local terms energy: -363.421013 where: bonds (distance) C4'-P energy: -73.198 bonds (distance) P-C4' energy: -72.903 flat angles C4'-P-C4' energy: -81.599 flat angles P-C4'-P energy: -52.271 tors. eta vs tors. theta energy: -83.449 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: 7 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -900.432106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.432106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.432106 (E_RNA) where: Base-Base interactions energy: -590.410 where: short stacking energy: -248.488 Base-Backbone interact. energy: -3.014 local terms energy: -307.008480 where: bonds (distance) C4'-P energy: -77.475 bonds (distance) P-C4' energy: -64.675 flat angles C4'-P-C4' energy: -73.533 flat angles P-C4'-P energy: -42.605 tors. eta vs tors. theta energy: -48.720 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: 5 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -865.109560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.109560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.109560 (E_RNA) where: Base-Base interactions energy: -563.917 where: short stacking energy: -244.740 Base-Backbone interact. energy: -1.413 local terms energy: -299.780206 where: bonds (distance) C4'-P energy: -50.126 bonds (distance) P-C4' energy: -74.421 flat angles C4'-P-C4' energy: -78.287 flat angles P-C4'-P energy: -41.131 tors. eta vs tors. theta energy: -55.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -633.032866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.032866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.032866 (E_RNA) where: Base-Base interactions energy: -380.435 where: short stacking energy: -171.451 Base-Backbone interact. energy: 1.486 local terms energy: -254.083893 where: bonds (distance) C4'-P energy: -70.557 bonds (distance) P-C4' energy: -56.009 flat angles C4'-P-C4' energy: -58.557 flat angles P-C4'-P energy: -40.776 tors. eta vs tors. theta energy: -28.184 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: 10, replica: 2 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -574.556968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.556968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.556968 (E_RNA) where: Base-Base interactions energy: -352.453 where: short stacking energy: -166.177 Base-Backbone interact. energy: 3.432 local terms energy: -225.536116 where: bonds (distance) C4'-P energy: -66.173 bonds (distance) P-C4' energy: -68.446 flat angles C4'-P-C4' energy: -47.422 flat angles P-C4'-P energy: -29.932 tors. eta vs tors. theta energy: -13.563 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: 1, replica: 10 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1393.474995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.474995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.474995 (E_RNA) where: Base-Base interactions energy: -954.017 where: short stacking energy: -417.378 Base-Backbone interact. energy: -4.174 local terms energy: -435.284766 where: bonds (distance) C4'-P energy: -75.085 bonds (distance) P-C4' energy: -75.662 flat angles C4'-P-C4' energy: -95.351 flat angles P-C4'-P energy: -68.153 tors. eta vs tors. theta energy: -121.034 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: 9 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1392.949349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.949349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.949349 (E_RNA) where: Base-Base interactions energy: -946.472 where: short stacking energy: -438.741 Base-Backbone interact. energy: -0.750 local terms energy: -445.727731 where: bonds (distance) C4'-P energy: -72.241 bonds (distance) P-C4' energy: -76.647 flat angles C4'-P-C4' energy: -92.179 flat angles P-C4'-P energy: -68.505 tors. eta vs tors. theta energy: -136.156 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: 6 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1289.833463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.833463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.833463 (E_RNA) where: Base-Base interactions energy: -896.772 where: short stacking energy: -382.166 Base-Backbone interact. energy: -1.595 local terms energy: -391.466109 where: bonds (distance) C4'-P energy: -67.731 bonds (distance) P-C4' energy: -81.694 flat angles C4'-P-C4' energy: -73.445 flat angles P-C4'-P energy: -60.478 tors. eta vs tors. theta energy: -108.118 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: 3 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1219.022524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.022524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.022524 (E_RNA) where: Base-Base interactions energy: -836.084 where: short stacking energy: -340.454 Base-Backbone interact. energy: -0.914 local terms energy: -382.024668 where: bonds (distance) C4'-P energy: -75.656 bonds (distance) P-C4' energy: -83.005 flat angles C4'-P-C4' energy: -82.860 flat angles P-C4'-P energy: -50.772 tors. eta vs tors. theta energy: -89.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1185.386595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.386595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.386595 (E_RNA) where: Base-Base interactions energy: -823.784 where: short stacking energy: -343.882 Base-Backbone interact. energy: 0.285 local terms energy: -361.887235 where: bonds (distance) C4'-P energy: -76.492 bonds (distance) P-C4' energy: -59.369 flat angles C4'-P-C4' energy: -87.345 flat angles P-C4'-P energy: -50.373 tors. eta vs tors. theta energy: -88.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1063.750821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.750821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.750821 (E_RNA) where: Base-Base interactions energy: -695.310 where: short stacking energy: -334.375 Base-Backbone interact. energy: -1.108 local terms energy: -367.333550 where: bonds (distance) C4'-P energy: -61.644 bonds (distance) P-C4' energy: -80.120 flat angles C4'-P-C4' energy: -82.320 flat angles P-C4'-P energy: -47.141 tors. eta vs tors. theta energy: -96.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -915.896992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.896992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.896992 (E_RNA) where: Base-Base interactions energy: -597.196 where: short stacking energy: -288.208 Base-Backbone interact. energy: 0.092 local terms energy: -318.793570 where: bonds (distance) C4'-P energy: -58.125 bonds (distance) P-C4' energy: -67.643 flat angles C4'-P-C4' energy: -68.975 flat angles P-C4'-P energy: -51.435 tors. eta vs tors. theta energy: -72.617 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: 5 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -833.320973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.320973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.320973 (E_RNA) where: Base-Base interactions energy: -559.064 where: short stacking energy: -248.597 Base-Backbone interact. energy: 5.394 local terms energy: -279.651576 where: bonds (distance) C4'-P energy: -61.607 bonds (distance) P-C4' energy: -67.687 flat angles C4'-P-C4' energy: -72.221 flat angles P-C4'-P energy: -47.631 tors. eta vs tors. theta energy: -30.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -621.996789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.996789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.996789 (E_RNA) where: Base-Base interactions energy: -371.415 where: short stacking energy: -181.868 Base-Backbone interact. energy: -0.793 local terms energy: -249.789008 where: bonds (distance) C4'-P energy: -72.302 bonds (distance) P-C4' energy: -67.548 flat angles C4'-P-C4' energy: -69.396 flat angles P-C4'-P energy: -13.120 tors. eta vs tors. theta energy: -27.422 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: 10, replica: 2 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -556.869856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.869856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.869856 (E_RNA) where: Base-Base interactions energy: -319.634 where: short stacking energy: -168.920 Base-Backbone interact. energy: -3.415 local terms energy: -233.820752 where: bonds (distance) C4'-P energy: -62.103 bonds (distance) P-C4' energy: -76.337 flat angles C4'-P-C4' energy: -59.352 flat angles P-C4'-P energy: -21.248 tors. eta vs tors. theta energy: -14.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1397.689814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.689814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.689814 (E_RNA) where: Base-Base interactions energy: -964.592 where: short stacking energy: -420.871 Base-Backbone interact. energy: -2.027 local terms energy: -431.071554 where: bonds (distance) C4'-P energy: -75.345 bonds (distance) P-C4' energy: -75.768 flat angles C4'-P-C4' energy: -95.865 flat angles P-C4'-P energy: -64.164 tors. eta vs tors. theta energy: -119.929 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: 9 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1388.681769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.681769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.681769 (E_RNA) where: Base-Base interactions energy: -964.380 where: short stacking energy: -429.901 Base-Backbone interact. energy: -1.554 local terms energy: -422.747841 where: bonds (distance) C4'-P energy: -69.245 bonds (distance) P-C4' energy: -81.441 flat angles C4'-P-C4' energy: -79.387 flat angles P-C4'-P energy: -61.261 tors. eta vs tors. theta energy: -131.413 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: 6 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1285.582459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.582459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.582459 (E_RNA) where: Base-Base interactions energy: -871.133 where: short stacking energy: -359.399 Base-Backbone interact. energy: -1.325 local terms energy: -413.124346 where: bonds (distance) C4'-P energy: -83.274 bonds (distance) P-C4' energy: -74.941 flat angles C4'-P-C4' energy: -93.555 flat angles P-C4'-P energy: -53.905 tors. eta vs tors. theta energy: -107.450 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: 3 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1250.590174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.590174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.590174 (E_RNA) where: Base-Base interactions energy: -872.262 where: short stacking energy: -371.058 Base-Backbone interact. energy: -1.399 local terms energy: -376.929537 where: bonds (distance) C4'-P energy: -62.296 bonds (distance) P-C4' energy: -73.485 flat angles C4'-P-C4' energy: -84.273 flat angles P-C4'-P energy: -48.123 tors. eta vs tors. theta energy: -108.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1177.071544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.071544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.071544 (E_RNA) where: Base-Base interactions energy: -784.871 where: short stacking energy: -344.988 Base-Backbone interact. energy: -0.474 local terms energy: -391.726671 where: bonds (distance) C4'-P energy: -77.835 bonds (distance) P-C4' energy: -70.626 flat angles C4'-P-C4' energy: -86.663 flat angles P-C4'-P energy: -55.515 tors. eta vs tors. theta energy: -101.088 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: 4 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1057.936016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.936016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.936016 (E_RNA) where: Base-Base interactions energy: -714.676 where: short stacking energy: -326.585 Base-Backbone interact. energy: -1.799 local terms energy: -341.461277 where: bonds (distance) C4'-P energy: -68.084 bonds (distance) P-C4' energy: -74.044 flat angles C4'-P-C4' energy: -70.435 flat angles P-C4'-P energy: -49.214 tors. eta vs tors. theta energy: -79.685 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: 7 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -956.540667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.540667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.540667 (E_RNA) where: Base-Base interactions energy: -632.337 where: short stacking energy: -286.092 Base-Backbone interact. energy: -1.098 local terms energy: -323.105908 where: bonds (distance) C4'-P energy: -61.950 bonds (distance) P-C4' energy: -67.273 flat angles C4'-P-C4' energy: -78.922 flat angles P-C4'-P energy: -42.899 tors. eta vs tors. theta energy: -72.062 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: 5 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -867.030666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.030666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.030666 (E_RNA) where: Base-Base interactions energy: -573.731 where: short stacking energy: -236.249 Base-Backbone interact. energy: -0.215 local terms energy: -293.085135 where: bonds (distance) C4'-P energy: -60.614 bonds (distance) P-C4' energy: -77.558 flat angles C4'-P-C4' energy: -62.735 flat angles P-C4'-P energy: -43.948 tors. eta vs tors. theta energy: -48.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -569.980833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.980833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.980833 (E_RNA) where: Base-Base interactions energy: -336.506 where: short stacking energy: -167.255 Base-Backbone interact. energy: 6.203 local terms energy: -239.678035 where: bonds (distance) C4'-P energy: -51.542 bonds (distance) P-C4' energy: -69.814 flat angles C4'-P-C4' energy: -59.937 flat angles P-C4'-P energy: -46.894 tors. eta vs tors. theta energy: -11.491 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: 10, replica: 2 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -572.964904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.964904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.964904 (E_RNA) where: Base-Base interactions energy: -332.812 where: short stacking energy: -173.563 Base-Backbone interact. energy: 2.448 local terms energy: -242.600204 where: bonds (distance) C4'-P energy: -52.479 bonds (distance) P-C4' energy: -66.400 flat angles C4'-P-C4' energy: -68.558 flat angles P-C4'-P energy: -39.946 tors. eta vs tors. theta energy: -15.218 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: 10 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1399.968911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.968911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.968911 (E_RNA) where: Base-Base interactions energy: -973.106 where: short stacking energy: -421.192 Base-Backbone interact. energy: -1.371 local terms energy: -425.491372 where: bonds (distance) C4'-P energy: -74.105 bonds (distance) P-C4' energy: -77.441 flat angles C4'-P-C4' energy: -91.482 flat angles P-C4'-P energy: -57.979 tors. eta vs tors. theta energy: -124.486 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: 9 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1388.706040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.706040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.706040 (E_RNA) where: Base-Base interactions energy: -946.698 where: short stacking energy: -435.898 Base-Backbone interact. energy: -0.806 local terms energy: -441.201955 where: bonds (distance) C4'-P energy: -78.253 bonds (distance) P-C4' energy: -80.865 flat angles C4'-P-C4' energy: -90.538 flat angles P-C4'-P energy: -63.282 tors. eta vs tors. theta energy: -128.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1276.508569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.508569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.508569 (E_RNA) where: Base-Base interactions energy: -887.483 where: short stacking energy: -388.376 Base-Backbone interact. energy: -0.770 local terms energy: -388.256326 where: bonds (distance) C4'-P energy: -71.943 bonds (distance) P-C4' energy: -61.988 flat angles C4'-P-C4' energy: -81.703 flat angles P-C4'-P energy: -68.541 tors. eta vs tors. theta energy: -104.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1228.722057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.722057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.722057 (E_RNA) where: Base-Base interactions energy: -830.186 where: short stacking energy: -356.001 Base-Backbone interact. energy: -0.784 local terms energy: -397.751449 where: bonds (distance) C4'-P energy: -78.543 bonds (distance) P-C4' energy: -79.730 flat angles C4'-P-C4' energy: -83.874 flat angles P-C4'-P energy: -52.158 tors. eta vs tors. theta energy: -103.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1168.630702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.630702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.630702 (E_RNA) where: Base-Base interactions energy: -786.132 where: short stacking energy: -348.254 Base-Backbone interact. energy: -0.485 local terms energy: -382.013354 where: bonds (distance) C4'-P energy: -67.391 bonds (distance) P-C4' energy: -74.761 flat angles C4'-P-C4' energy: -80.833 flat angles P-C4'-P energy: -54.449 tors. eta vs tors. theta energy: -104.579 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: 6, replica: 4 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1050.512166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.512166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.512166 (E_RNA) where: Base-Base interactions energy: -716.711 where: short stacking energy: -297.928 Base-Backbone interact. energy: 2.148 local terms energy: -335.948682 where: bonds (distance) C4'-P energy: -70.873 bonds (distance) P-C4' energy: -60.371 flat angles C4'-P-C4' energy: -75.448 flat angles P-C4'-P energy: -55.650 tors. eta vs tors. theta energy: -73.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -986.809537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.809537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.809537 (E_RNA) where: Base-Base interactions energy: -677.201 where: short stacking energy: -285.129 Base-Backbone interact. energy: -2.006 local terms energy: -307.602346 where: bonds (distance) C4'-P energy: -61.264 bonds (distance) P-C4' energy: -72.293 flat angles C4'-P-C4' energy: -70.087 flat angles P-C4'-P energy: -41.250 tors. eta vs tors. theta energy: -62.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -854.450128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.450128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.450128 (E_RNA) where: Base-Base interactions energy: -555.241 where: short stacking energy: -247.175 Base-Backbone interact. energy: -0.172 local terms energy: -299.036803 where: bonds (distance) C4'-P energy: -63.639 bonds (distance) P-C4' energy: -70.339 flat angles C4'-P-C4' energy: -73.865 flat angles P-C4'-P energy: -43.086 tors. eta vs tors. theta energy: -48.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -562.056777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.056777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.056777 (E_RNA) where: Base-Base interactions energy: -316.551 where: short stacking energy: -188.268 Base-Backbone interact. energy: 0.195 local terms energy: -245.700719 where: bonds (distance) C4'-P energy: -62.095 bonds (distance) P-C4' energy: -58.980 flat angles C4'-P-C4' energy: -67.496 flat angles P-C4'-P energy: -38.573 tors. eta vs tors. theta energy: -18.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -534.809024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.809024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.809024 (E_RNA) where: Base-Base interactions energy: -298.657 where: short stacking energy: -154.870 Base-Backbone interact. energy: -1.506 local terms energy: -234.645621 where: bonds (distance) C4'-P energy: -62.577 bonds (distance) P-C4' energy: -58.942 flat angles C4'-P-C4' energy: -64.440 flat angles P-C4'-P energy: -32.524 tors. eta vs tors. theta energy: -16.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1406.817357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.817357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.817357 (E_RNA) where: Base-Base interactions energy: -987.366 where: short stacking energy: -420.412 Base-Backbone interact. energy: -0.608 local terms energy: -418.843490 where: bonds (distance) C4'-P energy: -71.402 bonds (distance) P-C4' energy: -81.318 flat angles C4'-P-C4' energy: -87.412 flat angles P-C4'-P energy: -60.072 tors. eta vs tors. theta energy: -118.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1378.422293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.422293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.422293 (E_RNA) where: Base-Base interactions energy: -939.659 where: short stacking energy: -417.542 Base-Backbone interact. energy: -1.271 local terms energy: -437.492728 where: bonds (distance) C4'-P energy: -79.281 bonds (distance) P-C4' energy: -77.870 flat angles C4'-P-C4' energy: -86.891 flat angles P-C4'-P energy: -66.770 tors. eta vs tors. theta energy: -126.681 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: 6 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1262.474298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.474298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.474298 (E_RNA) where: Base-Base interactions energy: -867.247 where: short stacking energy: -401.472 Base-Backbone interact. energy: 0.127 local terms energy: -395.354534 where: bonds (distance) C4'-P energy: -75.233 bonds (distance) P-C4' energy: -73.909 flat angles C4'-P-C4' energy: -77.304 flat angles P-C4'-P energy: -59.304 tors. eta vs tors. theta energy: -109.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1219.555620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.555620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.555620 (E_RNA) where: Base-Base interactions energy: -847.340 where: short stacking energy: -350.341 Base-Backbone interact. energy: -0.047 local terms energy: -372.168595 where: bonds (distance) C4'-P energy: -67.825 bonds (distance) P-C4' energy: -58.538 flat angles C4'-P-C4' energy: -88.778 flat angles P-C4'-P energy: -54.965 tors. eta vs tors. theta energy: -102.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1191.397760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.397760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.397760 (E_RNA) where: Base-Base interactions energy: -812.454 where: short stacking energy: -328.267 Base-Backbone interact. energy: -3.194 local terms energy: -375.749200 where: bonds (distance) C4'-P energy: -66.124 bonds (distance) P-C4' energy: -70.218 flat angles C4'-P-C4' energy: -88.709 flat angles P-C4'-P energy: -60.918 tors. eta vs tors. theta energy: -89.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1069.094145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.094145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.094145 (E_RNA) where: Base-Base interactions energy: -728.806 where: short stacking energy: -336.333 Base-Backbone interact. energy: -0.372 local terms energy: -339.916597 where: bonds (distance) C4'-P energy: -66.153 bonds (distance) P-C4' energy: -78.318 flat angles C4'-P-C4' energy: -81.803 flat angles P-C4'-P energy: -37.259 tors. eta vs tors. theta energy: -76.384 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: 5 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -971.927783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.927783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.927783 (E_RNA) where: Base-Base interactions energy: -659.386 where: short stacking energy: -282.982 Base-Backbone interact. energy: -1.284 local terms energy: -311.258645 where: bonds (distance) C4'-P energy: -60.936 bonds (distance) P-C4' energy: -66.736 flat angles C4'-P-C4' energy: -77.811 flat angles P-C4'-P energy: -47.049 tors. eta vs tors. theta energy: -58.727 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: 7 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -852.017924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.017924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.017924 (E_RNA) where: Base-Base interactions energy: -558.511 where: short stacking energy: -237.614 Base-Backbone interact. energy: -0.437 local terms energy: -293.070117 where: bonds (distance) C4'-P energy: -67.673 bonds (distance) P-C4' energy: -64.776 flat angles C4'-P-C4' energy: -68.603 flat angles P-C4'-P energy: -45.516 tors. eta vs tors. theta energy: -46.502 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: 1 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -579.402562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.402562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.402562 (E_RNA) where: Base-Base interactions energy: -306.768 where: short stacking energy: -146.372 Base-Backbone interact. energy: -0.612 local terms energy: -272.022329 where: bonds (distance) C4'-P energy: -72.063 bonds (distance) P-C4' energy: -64.615 flat angles C4'-P-C4' energy: -77.238 flat angles P-C4'-P energy: -35.429 tors. eta vs tors. theta energy: -22.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -560.152224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.152224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.152224 (E_RNA) where: Base-Base interactions energy: -306.524 where: short stacking energy: -162.081 Base-Backbone interact. energy: -2.147 local terms energy: -251.481366 where: bonds (distance) C4'-P energy: -61.752 bonds (distance) P-C4' energy: -61.558 flat angles C4'-P-C4' energy: -60.003 flat angles P-C4'-P energy: -50.435 tors. eta vs tors. theta energy: -17.734 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: 1, replica: 9 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1429.883550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.883550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.883550 (E_RNA) where: Base-Base interactions energy: -974.595 where: short stacking energy: -446.152 Base-Backbone interact. energy: -2.411 local terms energy: -452.877334 where: bonds (distance) C4'-P energy: -74.233 bonds (distance) P-C4' energy: -80.090 flat angles C4'-P-C4' energy: -98.660 flat angles P-C4'-P energy: -65.785 tors. eta vs tors. theta energy: -134.110 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: 252 Temperature: 0.950000 Total energy: -1385.242919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.242919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.242919 (E_RNA) where: Base-Base interactions energy: -968.029 where: short stacking energy: -404.358 Base-Backbone interact. energy: -2.511 local terms energy: -414.703124 where: bonds (distance) C4'-P energy: -76.959 bonds (distance) P-C4' energy: -70.083 flat angles C4'-P-C4' energy: -88.188 flat angles P-C4'-P energy: -64.710 tors. eta vs tors. theta energy: -114.762 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: 3, replica: 6 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1298.772674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.772674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.772674 (E_RNA) where: Base-Base interactions energy: -887.822 where: short stacking energy: -401.740 Base-Backbone interact. energy: -0.877 local terms energy: -410.073162 where: bonds (distance) C4'-P energy: -71.890 bonds (distance) P-C4' energy: -82.425 flat angles C4'-P-C4' energy: -80.466 flat angles P-C4'-P energy: -56.944 tors. eta vs tors. theta energy: -118.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1263.183218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.183218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.183218 (E_RNA) where: Base-Base interactions energy: -870.018 where: short stacking energy: -365.916 Base-Backbone interact. energy: -1.494 local terms energy: -391.671339 where: bonds (distance) C4'-P energy: -70.200 bonds (distance) P-C4' energy: -72.339 flat angles C4'-P-C4' energy: -83.799 flat angles P-C4'-P energy: -57.439 tors. eta vs tors. theta energy: -107.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1230.939956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.939956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.939956 (E_RNA) where: Base-Base interactions energy: -861.774 where: short stacking energy: -363.591 Base-Backbone interact. energy: -1.812 local terms energy: -367.354113 where: bonds (distance) C4'-P energy: -64.523 bonds (distance) P-C4' energy: -70.833 flat angles C4'-P-C4' energy: -74.397 flat angles P-C4'-P energy: -49.399 tors. eta vs tors. theta energy: -108.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1055.576975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.576975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.576975 (E_RNA) where: Base-Base interactions energy: -728.681 where: short stacking energy: -338.641 Base-Backbone interact. energy: -0.316 local terms energy: -326.579545 where: bonds (distance) C4'-P energy: -70.917 bonds (distance) P-C4' energy: -61.046 flat angles C4'-P-C4' energy: -66.231 flat angles P-C4'-P energy: -44.184 tors. eta vs tors. theta energy: -84.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -996.976606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.976606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.976606 (E_RNA) where: Base-Base interactions energy: -688.997 where: short stacking energy: -275.359 Base-Backbone interact. energy: -1.505 local terms energy: -306.474579 where: bonds (distance) C4'-P energy: -74.747 bonds (distance) P-C4' energy: -57.615 flat angles C4'-P-C4' energy: -65.276 flat angles P-C4'-P energy: -46.396 tors. eta vs tors. theta energy: -62.442 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: 7 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -910.650812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.650812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.650812 (E_RNA) where: Base-Base interactions energy: -601.337 where: short stacking energy: -259.269 Base-Backbone interact. energy: -0.638 local terms energy: -308.675341 where: bonds (distance) C4'-P energy: -67.017 bonds (distance) P-C4' energy: -57.045 flat angles C4'-P-C4' energy: -73.602 flat angles P-C4'-P energy: -39.321 tors. eta vs tors. theta energy: -71.691 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: 9, replica: 1 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -611.506366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.506366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.506366 (E_RNA) where: Base-Base interactions energy: -367.435 where: short stacking energy: -169.999 Base-Backbone interact. energy: -1.499 local terms energy: -242.572200 where: bonds (distance) C4'-P energy: -61.364 bonds (distance) P-C4' energy: -72.772 flat angles C4'-P-C4' energy: -53.050 flat angles P-C4'-P energy: -33.112 tors. eta vs tors. theta energy: -22.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -529.023258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.023258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.023258 (E_RNA) where: Base-Base interactions energy: -289.050 where: short stacking energy: -145.137 Base-Backbone interact. energy: -1.581 local terms energy: -238.392915 where: bonds (distance) C4'-P energy: -68.447 bonds (distance) P-C4' energy: -64.085 flat angles C4'-P-C4' energy: -55.844 flat angles P-C4'-P energy: -42.905 tors. eta vs tors. theta energy: -7.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1429.163636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.163636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.163636 (E_RNA) where: Base-Base interactions energy: -975.824 where: short stacking energy: -432.402 Base-Backbone interact. energy: 0.320 local terms energy: -453.659136 where: bonds (distance) C4'-P energy: -79.953 bonds (distance) P-C4' energy: -79.658 flat angles C4'-P-C4' energy: -88.871 flat angles P-C4'-P energy: -67.121 tors. eta vs tors. theta energy: -138.057 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: 253 Temperature: 0.950000 Total energy: -1355.264343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.264343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.264343 (E_RNA) where: Base-Base interactions energy: -936.845 where: short stacking energy: -393.138 Base-Backbone interact. energy: 0.459 local terms energy: -418.878401 where: bonds (distance) C4'-P energy: -80.708 bonds (distance) P-C4' energy: -75.922 flat angles C4'-P-C4' energy: -91.413 flat angles P-C4'-P energy: -60.006 tors. eta vs tors. theta energy: -110.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1293.671773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.671773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.671773 (E_RNA) where: Base-Base interactions energy: -877.909 where: short stacking energy: -406.380 Base-Backbone interact. energy: -0.877 local terms energy: -414.885873 where: bonds (distance) C4'-P energy: -75.787 bonds (distance) P-C4' energy: -72.534 flat angles C4'-P-C4' energy: -87.788 flat angles P-C4'-P energy: -58.290 tors. eta vs tors. theta energy: -120.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1228.368929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.368929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.368929 (E_RNA) where: Base-Base interactions energy: -853.325 where: short stacking energy: -362.375 Base-Backbone interact. energy: -4.001 local terms energy: -371.043053 where: bonds (distance) C4'-P energy: -71.461 bonds (distance) P-C4' energy: -71.125 flat angles C4'-P-C4' energy: -86.970 flat angles P-C4'-P energy: -37.834 tors. eta vs tors. theta energy: -103.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1141.802108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.802108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.802108 (E_RNA) where: Base-Base interactions energy: -791.683 where: short stacking energy: -345.452 Base-Backbone interact. energy: -0.771 local terms energy: -349.348317 where: bonds (distance) C4'-P energy: -59.731 bonds (distance) P-C4' energy: -64.710 flat angles C4'-P-C4' energy: -79.792 flat angles P-C4'-P energy: -54.550 tors. eta vs tors. theta energy: -90.566 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: 4 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1027.175201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.175201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.175201 (E_RNA) where: Base-Base interactions energy: -701.046 where: short stacking energy: -300.958 Base-Backbone interact. energy: -1.239 local terms energy: -324.890133 where: bonds (distance) C4'-P energy: -65.884 bonds (distance) P-C4' energy: -64.381 flat angles C4'-P-C4' energy: -74.252 flat angles P-C4'-P energy: -52.795 tors. eta vs tors. theta energy: -67.579 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: 5 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -958.186260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.186260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.186260 (E_RNA) where: Base-Base interactions energy: -639.652 where: short stacking energy: -293.391 Base-Backbone interact. energy: -1.813 local terms energy: -316.721961 where: bonds (distance) C4'-P energy: -55.255 bonds (distance) P-C4' energy: -71.405 flat angles C4'-P-C4' energy: -79.833 flat angles P-C4'-P energy: -46.364 tors. eta vs tors. theta energy: -63.865 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: 7 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -898.712859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.712859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.712859 (E_RNA) where: Base-Base interactions energy: -594.544 where: short stacking energy: -267.687 Base-Backbone interact. energy: 0.876 local terms energy: -305.045235 where: bonds (distance) C4'-P energy: -54.754 bonds (distance) P-C4' energy: -80.412 flat angles C4'-P-C4' energy: -59.659 flat angles P-C4'-P energy: -38.262 tors. eta vs tors. theta energy: -71.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -597.622461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.622461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.622461 (E_RNA) where: Base-Base interactions energy: -366.339 where: short stacking energy: -180.935 Base-Backbone interact. energy: 1.006 local terms energy: -232.289364 where: bonds (distance) C4'-P energy: -51.207 bonds (distance) P-C4' energy: -69.507 flat angles C4'-P-C4' energy: -54.669 flat angles P-C4'-P energy: -43.406 tors. eta vs tors. theta energy: -13.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -525.759352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.759352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.759352 (E_RNA) where: Base-Base interactions energy: -281.578 where: short stacking energy: -141.504 Base-Backbone interact. energy: -2.722 local terms energy: -241.459166 where: bonds (distance) C4'-P energy: -60.356 bonds (distance) P-C4' energy: -60.075 flat angles C4'-P-C4' energy: -56.211 flat angles P-C4'-P energy: -48.367 tors. eta vs tors. theta energy: -16.451 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: 1, replica: 9 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1425.179468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.179468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.179468 (E_RNA) where: Base-Base interactions energy: -981.039 where: short stacking energy: -434.888 Base-Backbone interact. energy: -2.159 local terms energy: -441.982017 where: bonds (distance) C4'-P energy: -79.365 bonds (distance) P-C4' energy: -79.350 flat angles C4'-P-C4' energy: -89.964 flat angles P-C4'-P energy: -58.353 tors. eta vs tors. theta energy: -134.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1348.440597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.440597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.440597 (E_RNA) where: Base-Base interactions energy: -941.546 where: short stacking energy: -405.964 Base-Backbone interact. energy: 0.363 local terms energy: -407.257209 where: bonds (distance) C4'-P energy: -74.685 bonds (distance) P-C4' energy: -79.544 flat angles C4'-P-C4' energy: -88.242 flat angles P-C4'-P energy: -59.974 tors. eta vs tors. theta energy: -104.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1268.195083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.195083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.195083 (E_RNA) where: Base-Base interactions energy: -848.994 where: short stacking energy: -392.464 Base-Backbone interact. energy: -0.736 local terms energy: -418.465044 where: bonds (distance) C4'-P energy: -72.264 bonds (distance) P-C4' energy: -74.407 flat angles C4'-P-C4' energy: -93.849 flat angles P-C4'-P energy: -64.176 tors. eta vs tors. theta energy: -113.770 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: 8 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1210.961178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.961178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.961178 (E_RNA) where: Base-Base interactions energy: -829.150 where: short stacking energy: -347.586 Base-Backbone interact. energy: -1.451 local terms energy: -380.359544 where: bonds (distance) C4'-P energy: -69.821 bonds (distance) P-C4' energy: -69.182 flat angles C4'-P-C4' energy: -83.856 flat angles P-C4'-P energy: -62.218 tors. eta vs tors. theta energy: -95.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1135.474865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.474865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.474865 (E_RNA) where: Base-Base interactions energy: -781.444 where: short stacking energy: -323.364 Base-Backbone interact. energy: -1.877 local terms energy: -352.153975 where: bonds (distance) C4'-P energy: -64.098 bonds (distance) P-C4' energy: -72.130 flat angles C4'-P-C4' energy: -82.685 flat angles P-C4'-P energy: -47.056 tors. eta vs tors. theta energy: -86.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1056.091446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.091446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.091446 (E_RNA) where: Base-Base interactions energy: -709.071 where: short stacking energy: -320.588 Base-Backbone interact. energy: 1.879 local terms energy: -348.899219 where: bonds (distance) C4'-P energy: -65.670 bonds (distance) P-C4' energy: -69.439 flat angles C4'-P-C4' energy: -88.746 flat angles P-C4'-P energy: -47.499 tors. eta vs tors. theta energy: -77.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -940.070495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.070495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.070495 (E_RNA) where: Base-Base interactions energy: -630.649 where: short stacking energy: -284.518 Base-Backbone interact. energy: -2.028 local terms energy: -307.394283 where: bonds (distance) C4'-P energy: -56.478 bonds (distance) P-C4' energy: -72.458 flat angles C4'-P-C4' energy: -66.610 flat angles P-C4'-P energy: -48.940 tors. eta vs tors. theta energy: -62.909 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: 5 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -945.002013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.002013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.002013 (E_RNA) where: Base-Base interactions energy: -616.433 where: short stacking energy: -269.993 Base-Backbone interact. energy: 1.822 local terms energy: -330.391265 where: bonds (distance) C4'-P energy: -58.235 bonds (distance) P-C4' energy: -75.601 flat angles C4'-P-C4' energy: -83.543 flat angles P-C4'-P energy: -46.269 tors. eta vs tors. theta energy: -66.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -584.332658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.332658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.332658 (E_RNA) where: Base-Base interactions energy: -310.457 where: short stacking energy: -173.268 Base-Backbone interact. energy: -3.523 local terms energy: -270.353132 where: bonds (distance) C4'-P energy: -63.563 bonds (distance) P-C4' energy: -77.848 flat angles C4'-P-C4' energy: -71.662 flat angles P-C4'-P energy: -37.180 tors. eta vs tors. theta energy: -20.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -559.976863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.976863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.976863 (E_RNA) where: Base-Base interactions energy: -308.498 where: short stacking energy: -170.839 Base-Backbone interact. energy: -1.668 local terms energy: -249.810646 where: bonds (distance) C4'-P energy: -74.200 bonds (distance) P-C4' energy: -70.636 flat angles C4'-P-C4' energy: -47.274 flat angles P-C4'-P energy: -48.727 tors. eta vs tors. theta energy: -8.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1436.019941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.019941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.019941 (E_RNA) where: Base-Base interactions energy: -995.069 where: short stacking energy: -445.298 Base-Backbone interact. energy: 0.488 local terms energy: -441.439150 where: bonds (distance) C4'-P energy: -81.454 bonds (distance) P-C4' energy: -77.460 flat angles C4'-P-C4' energy: -84.124 flat angles P-C4'-P energy: -61.388 tors. eta vs tors. theta energy: -137.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1337.513320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.513320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.513320 (E_RNA) where: Base-Base interactions energy: -918.674 where: short stacking energy: -410.792 Base-Backbone interact. energy: -1.841 local terms energy: -416.998558 where: bonds (distance) C4'-P energy: -79.570 bonds (distance) P-C4' energy: -70.986 flat angles C4'-P-C4' energy: -91.397 flat angles P-C4'-P energy: -62.073 tors. eta vs tors. theta energy: -112.973 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: 6 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1276.982488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.982488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.982488 (E_RNA) where: Base-Base interactions energy: -857.926 where: short stacking energy: -372.369 Base-Backbone interact. energy: -3.413 local terms energy: -415.644009 where: bonds (distance) C4'-P energy: -82.502 bonds (distance) P-C4' energy: -77.229 flat angles C4'-P-C4' energy: -93.754 flat angles P-C4'-P energy: -58.823 tors. eta vs tors. theta energy: -103.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1212.152089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.152089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.152089 (E_RNA) where: Base-Base interactions energy: -823.433 where: short stacking energy: -350.968 Base-Backbone interact. energy: -2.875 local terms energy: -385.844637 where: bonds (distance) C4'-P energy: -75.467 bonds (distance) P-C4' energy: -74.776 flat angles C4'-P-C4' energy: -81.710 flat angles P-C4'-P energy: -59.594 tors. eta vs tors. theta energy: -94.298 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: 3 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1196.016682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.016682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.016682 (E_RNA) where: Base-Base interactions energy: -816.144 where: short stacking energy: -345.548 Base-Backbone interact. energy: -1.327 local terms energy: -378.545659 where: bonds (distance) C4'-P energy: -60.355 bonds (distance) P-C4' energy: -79.778 flat angles C4'-P-C4' energy: -80.690 flat angles P-C4'-P energy: -63.555 tors. eta vs tors. theta energy: -94.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1069.126495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.126495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.126495 (E_RNA) where: Base-Base interactions energy: -717.978 where: short stacking energy: -319.862 Base-Backbone interact. energy: -1.692 local terms energy: -349.456334 where: bonds (distance) C4'-P energy: -78.063 bonds (distance) P-C4' energy: -66.729 flat angles C4'-P-C4' energy: -72.857 flat angles P-C4'-P energy: -49.484 tors. eta vs tors. theta energy: -82.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -928.447980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.447980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.447980 (E_RNA) where: Base-Base interactions energy: -631.108 where: short stacking energy: -278.595 Base-Backbone interact. energy: 1.927 local terms energy: -299.267289 where: bonds (distance) C4'-P energy: -63.437 bonds (distance) P-C4' energy: -54.283 flat angles C4'-P-C4' energy: -67.067 flat angles P-C4'-P energy: -51.710 tors. eta vs tors. theta energy: -62.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -928.376100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.376100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.376100 (E_RNA) where: Base-Base interactions energy: -637.644 where: short stacking energy: -278.364 Base-Backbone interact. energy: -0.573 local terms energy: -290.159050 where: bonds (distance) C4'-P energy: -51.748 bonds (distance) P-C4' energy: -67.386 flat angles C4'-P-C4' energy: -62.737 flat angles P-C4'-P energy: -39.901 tors. eta vs tors. theta energy: -68.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -589.056069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.056069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.056069 (E_RNA) where: Base-Base interactions energy: -333.987 where: short stacking energy: -168.831 Base-Backbone interact. energy: -0.675 local terms energy: -254.394127 where: bonds (distance) C4'-P energy: -44.394 bonds (distance) P-C4' energy: -75.581 flat angles C4'-P-C4' energy: -68.615 flat angles P-C4'-P energy: -47.259 tors. eta vs tors. theta energy: -18.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -548.570282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.570282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.570282 (E_RNA) where: Base-Base interactions energy: -285.510 where: short stacking energy: -148.892 Base-Backbone interact. energy: 5.095 local terms energy: -268.155804 where: bonds (distance) C4'-P energy: -75.864 bonds (distance) P-C4' energy: -67.359 flat angles C4'-P-C4' energy: -59.600 flat angles P-C4'-P energy: -46.504 tors. eta vs tors. theta energy: -18.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1431.015665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.015665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.015665 (E_RNA) where: Base-Base interactions energy: -989.576 where: short stacking energy: -445.240 Base-Backbone interact. energy: -1.353 local terms energy: -440.087543 where: bonds (distance) C4'-P energy: -82.363 bonds (distance) P-C4' energy: -79.832 flat angles C4'-P-C4' energy: -88.826 flat angles P-C4'-P energy: -54.936 tors. eta vs tors. theta energy: -134.130 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: 10 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1334.661660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.661660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.661660 (E_RNA) where: Base-Base interactions energy: -934.872 where: short stacking energy: -389.470 Base-Backbone interact. energy: 0.514 local terms energy: -400.304130 where: bonds (distance) C4'-P energy: -65.461 bonds (distance) P-C4' energy: -78.980 flat angles C4'-P-C4' energy: -78.821 flat angles P-C4'-P energy: -64.577 tors. eta vs tors. theta energy: -112.466 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: 6 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1270.796168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.796168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.796168 (E_RNA) where: Base-Base interactions energy: -864.117 where: short stacking energy: -381.032 Base-Backbone interact. energy: -1.374 local terms energy: -405.305212 where: bonds (distance) C4'-P energy: -69.681 bonds (distance) P-C4' energy: -78.778 flat angles C4'-P-C4' energy: -83.466 flat angles P-C4'-P energy: -60.581 tors. eta vs tors. theta energy: -112.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1189.055191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.055191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.055191 (E_RNA) where: Base-Base interactions energy: -809.954 where: short stacking energy: -339.564 Base-Backbone interact. energy: -0.754 local terms energy: -378.347949 where: bonds (distance) C4'-P energy: -73.992 bonds (distance) P-C4' energy: -80.401 flat angles C4'-P-C4' energy: -80.335 flat angles P-C4'-P energy: -41.990 tors. eta vs tors. theta energy: -101.629 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: 3 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1197.574779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.574779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.574779 (E_RNA) where: Base-Base interactions energy: -839.563 where: short stacking energy: -370.366 Base-Backbone interact. energy: 0.527 local terms energy: -358.539224 where: bonds (distance) C4'-P energy: -68.337 bonds (distance) P-C4' energy: -73.053 flat angles C4'-P-C4' energy: -73.840 flat angles P-C4'-P energy: -57.124 tors. eta vs tors. theta energy: -86.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1027.121851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.121851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.121851 (E_RNA) where: Base-Base interactions energy: -701.805 where: short stacking energy: -298.314 Base-Backbone interact. energy: -0.795 local terms energy: -324.521083 where: bonds (distance) C4'-P energy: -53.959 bonds (distance) P-C4' energy: -75.307 flat angles C4'-P-C4' energy: -73.951 flat angles P-C4'-P energy: -49.059 tors. eta vs tors. theta energy: -72.246 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: 7 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -956.347635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.347635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.347635 (E_RNA) where: Base-Base interactions energy: -639.211 where: short stacking energy: -281.297 Base-Backbone interact. energy: -1.241 local terms energy: -315.895271 where: bonds (distance) C4'-P energy: -60.305 bonds (distance) P-C4' energy: -78.698 flat angles C4'-P-C4' energy: -64.254 flat angles P-C4'-P energy: -51.738 tors. eta vs tors. theta energy: -60.901 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: 5 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -877.297442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.297442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.297442 (E_RNA) where: Base-Base interactions energy: -587.580 where: short stacking energy: -264.143 Base-Backbone interact. energy: -0.718 local terms energy: -288.999066 where: bonds (distance) C4'-P energy: -57.754 bonds (distance) P-C4' energy: -71.551 flat angles C4'-P-C4' energy: -60.710 flat angles P-C4'-P energy: -38.746 tors. eta vs tors. theta energy: -60.237 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: 1 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -602.651670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.651670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.651670 (E_RNA) where: Base-Base interactions energy: -348.725 where: short stacking energy: -163.265 Base-Backbone interact. energy: -1.350 local terms energy: -252.576736 where: bonds (distance) C4'-P energy: -56.787 bonds (distance) P-C4' energy: -74.057 flat angles C4'-P-C4' energy: -56.213 flat angles P-C4'-P energy: -36.587 tors. eta vs tors. theta energy: -28.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -546.803498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.803498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.803498 (E_RNA) where: Base-Base interactions energy: -324.243 where: short stacking energy: -144.258 Base-Backbone interact. energy: 1.353 local terms energy: -223.913635 where: bonds (distance) C4'-P energy: -68.421 bonds (distance) P-C4' energy: -73.124 flat angles C4'-P-C4' energy: -53.360 flat angles P-C4'-P energy: -31.001 tors. eta vs tors. theta energy: 1.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1431.766246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.766246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.766246 (E_RNA) where: Base-Base interactions energy: -991.293 where: short stacking energy: -436.090 Base-Backbone interact. energy: -2.028 local terms energy: -438.445850 where: bonds (distance) C4'-P energy: -87.846 bonds (distance) P-C4' energy: -67.260 flat angles C4'-P-C4' energy: -86.068 flat angles P-C4'-P energy: -61.620 tors. eta vs tors. theta energy: -135.651 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: 10 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1354.314586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.314586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.314586 (E_RNA) where: Base-Base interactions energy: -932.655 where: short stacking energy: -411.843 Base-Backbone interact. energy: -3.005 local terms energy: -418.654638 where: bonds (distance) C4'-P energy: -70.309 bonds (distance) P-C4' energy: -80.897 flat angles C4'-P-C4' energy: -83.462 flat angles P-C4'-P energy: -64.385 tors. eta vs tors. theta energy: -119.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1273.592347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.592347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.592347 (E_RNA) where: Base-Base interactions energy: -872.995 where: short stacking energy: -405.208 Base-Backbone interact. energy: -1.814 local terms energy: -398.783863 where: bonds (distance) C4'-P energy: -76.510 bonds (distance) P-C4' energy: -76.505 flat angles C4'-P-C4' energy: -77.887 flat angles P-C4'-P energy: -54.590 tors. eta vs tors. theta energy: -113.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1222.274137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.274137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.274137 (E_RNA) where: Base-Base interactions energy: -839.378 where: short stacking energy: -346.993 Base-Backbone interact. energy: -1.728 local terms energy: -381.168318 where: bonds (distance) C4'-P energy: -71.400 bonds (distance) P-C4' energy: -68.432 flat angles C4'-P-C4' energy: -84.297 flat angles P-C4'-P energy: -55.270 tors. eta vs tors. theta energy: -101.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1174.480995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.480995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.480995 (E_RNA) where: Base-Base interactions energy: -812.058 where: short stacking energy: -347.175 Base-Backbone interact. energy: -2.098 local terms energy: -360.325339 where: bonds (distance) C4'-P energy: -68.905 bonds (distance) P-C4' energy: -67.809 flat angles C4'-P-C4' energy: -79.691 flat angles P-C4'-P energy: -50.632 tors. eta vs tors. theta energy: -93.288 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: 6, replica: 4 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1070.214144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.214144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.214144 (E_RNA) where: Base-Base interactions energy: -725.669 where: short stacking energy: -306.690 Base-Backbone interact. energy: -1.569 local terms energy: -342.975707 where: bonds (distance) C4'-P energy: -65.331 bonds (distance) P-C4' energy: -64.131 flat angles C4'-P-C4' energy: -84.097 flat angles P-C4'-P energy: -51.169 tors. eta vs tors. theta energy: -78.247 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: 7, replica: 7 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -925.032576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.032576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.032576 (E_RNA) where: Base-Base interactions energy: -610.093 where: short stacking energy: -259.622 Base-Backbone interact. energy: -1.039 local terms energy: -313.900292 where: bonds (distance) C4'-P energy: -66.345 bonds (distance) P-C4' energy: -76.558 flat angles C4'-P-C4' energy: -72.753 flat angles P-C4'-P energy: -30.835 tors. eta vs tors. theta energy: -67.410 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: 5 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -898.900723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.900723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.900723 (E_RNA) where: Base-Base interactions energy: -588.177 where: short stacking energy: -281.838 Base-Backbone interact. energy: 2.694 local terms energy: -313.417035 where: bonds (distance) C4'-P energy: -57.297 bonds (distance) P-C4' energy: -68.105 flat angles C4'-P-C4' energy: -74.270 flat angles P-C4'-P energy: -46.261 tors. eta vs tors. theta energy: -67.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -626.043050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.043050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.043050 (E_RNA) where: Base-Base interactions energy: -368.075 where: short stacking energy: -168.583 Base-Backbone interact. energy: -2.525 local terms energy: -255.442537 where: bonds (distance) C4'-P energy: -75.286 bonds (distance) P-C4' energy: -66.710 flat angles C4'-P-C4' energy: -59.236 flat angles P-C4'-P energy: -43.630 tors. eta vs tors. theta energy: -10.581 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: 2 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -579.984076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.984076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.984076 (E_RNA) where: Base-Base interactions energy: -358.968 where: short stacking energy: -156.602 Base-Backbone interact. energy: -2.352 local terms energy: -218.663760 where: bonds (distance) C4'-P energy: -60.374 bonds (distance) P-C4' energy: -67.614 flat angles C4'-P-C4' energy: -39.469 flat angles P-C4'-P energy: -35.316 tors. eta vs tors. theta energy: -15.890 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: 9 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1434.931997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.931997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.931997 (E_RNA) where: Base-Base interactions energy: -991.548 where: short stacking energy: -426.139 Base-Backbone interact. energy: -2.003 local terms energy: -441.381514 where: bonds (distance) C4'-P energy: -78.370 bonds (distance) P-C4' energy: -83.468 flat angles C4'-P-C4' energy: -95.435 flat angles P-C4'-P energy: -56.174 tors. eta vs tors. theta energy: -127.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1345.752454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.752454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.752454 (E_RNA) where: Base-Base interactions energy: -937.735 where: short stacking energy: -410.395 Base-Backbone interact. energy: 0.207 local terms energy: -408.224543 where: bonds (distance) C4'-P energy: -77.620 bonds (distance) P-C4' energy: -73.526 flat angles C4'-P-C4' energy: -91.154 flat angles P-C4'-P energy: -51.904 tors. eta vs tors. theta energy: -114.021 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: 3 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1260.787456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.787456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.787456 (E_RNA) where: Base-Base interactions energy: -866.851 where: short stacking energy: -375.781 Base-Backbone interact. energy: -1.339 local terms energy: -392.597346 where: bonds (distance) C4'-P energy: -76.924 bonds (distance) P-C4' energy: -71.037 flat angles C4'-P-C4' energy: -82.584 flat angles P-C4'-P energy: -58.082 tors. eta vs tors. theta energy: -103.970 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: 6 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1238.046587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.046587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.046587 (E_RNA) where: Base-Base interactions energy: -823.654 where: short stacking energy: -367.836 Base-Backbone interact. energy: -0.425 local terms energy: -413.968304 where: bonds (distance) C4'-P energy: -85.122 bonds (distance) P-C4' energy: -77.375 flat angles C4'-P-C4' energy: -86.309 flat angles P-C4'-P energy: -55.075 tors. eta vs tors. theta energy: -110.087 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: 8 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1202.466915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.466915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.466915 (E_RNA) where: Base-Base interactions energy: -843.184 where: short stacking energy: -358.153 Base-Backbone interact. energy: -4.394 local terms energy: -354.889152 where: bonds (distance) C4'-P energy: -54.923 bonds (distance) P-C4' energy: -67.386 flat angles C4'-P-C4' energy: -76.820 flat angles P-C4'-P energy: -51.539 tors. eta vs tors. theta energy: -104.222 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: 4 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1062.952513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.952513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.952513 (E_RNA) where: Base-Base interactions energy: -742.715 where: short stacking energy: -324.412 Base-Backbone interact. energy: -2.254 local terms energy: -317.984399 where: bonds (distance) C4'-P energy: -59.814 bonds (distance) P-C4' energy: -52.059 flat angles C4'-P-C4' energy: -77.471 flat angles P-C4'-P energy: -49.162 tors. eta vs tors. theta energy: -79.480 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: 7, replica: 7 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -934.635993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.635993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.635993 (E_RNA) where: Base-Base interactions energy: -607.224 where: short stacking energy: -268.027 Base-Backbone interact. energy: -0.545 local terms energy: -326.866520 where: bonds (distance) C4'-P energy: -67.542 bonds (distance) P-C4' energy: -86.848 flat angles C4'-P-C4' energy: -73.507 flat angles P-C4'-P energy: -45.646 tors. eta vs tors. theta energy: -53.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -834.086775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.086775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.086775 (E_RNA) where: Base-Base interactions energy: -528.394 where: short stacking energy: -227.246 Base-Backbone interact. energy: -1.184 local terms energy: -304.508877 where: bonds (distance) C4'-P energy: -64.384 bonds (distance) P-C4' energy: -69.131 flat angles C4'-P-C4' energy: -71.955 flat angles P-C4'-P energy: -42.272 tors. eta vs tors. theta energy: -56.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -642.479875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.479875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.479875 (E_RNA) where: Base-Base interactions energy: -387.163 where: short stacking energy: -193.629 Base-Backbone interact. energy: -0.171 local terms energy: -255.146069 where: bonds (distance) C4'-P energy: -74.714 bonds (distance) P-C4' energy: -64.965 flat angles C4'-P-C4' energy: -55.433 flat angles P-C4'-P energy: -32.535 tors. eta vs tors. theta energy: -27.499 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: 1 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -572.580819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.580819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.580819 (E_RNA) where: Base-Base interactions energy: -348.335 where: short stacking energy: -160.541 Base-Backbone interact. energy: 0.869 local terms energy: -225.114512 where: bonds (distance) C4'-P energy: -64.979 bonds (distance) P-C4' energy: -61.089 flat angles C4'-P-C4' energy: -55.466 flat angles P-C4'-P energy: -36.382 tors. eta vs tors. theta energy: -7.199 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: 1, replica: 9 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1440.360348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.360348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.360348 (E_RNA) where: Base-Base interactions energy: -993.776 where: short stacking energy: -421.572 Base-Backbone interact. energy: -0.251 local terms energy: -446.333320 where: bonds (distance) C4'-P energy: -78.754 bonds (distance) P-C4' energy: -82.345 flat angles C4'-P-C4' energy: -97.922 flat angles P-C4'-P energy: -59.142 tors. eta vs tors. theta energy: -128.170 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: 10 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1336.796069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.796069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.796069 (E_RNA) where: Base-Base interactions energy: -931.311 where: short stacking energy: -418.751 Base-Backbone interact. energy: -1.767 local terms energy: -403.718814 where: bonds (distance) C4'-P energy: -71.344 bonds (distance) P-C4' energy: -73.763 flat angles C4'-P-C4' energy: -83.977 flat angles P-C4'-P energy: -66.772 tors. eta vs tors. theta energy: -107.863 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: 3 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1280.253828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.253828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.253828 (E_RNA) where: Base-Base interactions energy: -876.943 where: short stacking energy: -366.882 Base-Backbone interact. energy: -2.222 local terms energy: -401.088765 where: bonds (distance) C4'-P energy: -81.600 bonds (distance) P-C4' energy: -71.526 flat angles C4'-P-C4' energy: -84.853 flat angles P-C4'-P energy: -55.255 tors. eta vs tors. theta energy: -107.854 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: 6 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1261.273179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.273179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.273179 (E_RNA) where: Base-Base interactions energy: -861.198 where: short stacking energy: -378.674 Base-Backbone interact. energy: -1.413 local terms energy: -398.662171 where: bonds (distance) C4'-P energy: -77.458 bonds (distance) P-C4' energy: -70.205 flat angles C4'-P-C4' energy: -89.127 flat angles P-C4'-P energy: -47.767 tors. eta vs tors. theta energy: -114.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1168.795873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.795873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.795873 (E_RNA) where: Base-Base interactions energy: -830.816 where: short stacking energy: -350.191 Base-Backbone interact. energy: -1.838 local terms energy: -336.141498 where: bonds (distance) C4'-P energy: -67.971 bonds (distance) P-C4' energy: -60.661 flat angles C4'-P-C4' energy: -73.172 flat angles P-C4'-P energy: -39.601 tors. eta vs tors. theta energy: -94.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -954.423936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.423936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.423936 (E_RNA) where: Base-Base interactions energy: -600.830 where: short stacking energy: -274.970 Base-Backbone interact. energy: -1.287 local terms energy: -352.307118 where: bonds (distance) C4'-P energy: -80.192 bonds (distance) P-C4' energy: -74.519 flat angles C4'-P-C4' energy: -73.846 flat angles P-C4'-P energy: -58.926 tors. eta vs tors. theta energy: -64.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -999.550292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.550292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.550292 (E_RNA) where: Base-Base interactions energy: -650.804 where: short stacking energy: -298.301 Base-Backbone interact. energy: -3.808 local terms energy: -344.938308 where: bonds (distance) C4'-P energy: -65.469 bonds (distance) P-C4' energy: -70.272 flat angles C4'-P-C4' energy: -81.578 flat angles P-C4'-P energy: -49.455 tors. eta vs tors. theta energy: -78.164 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: 5 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -840.823092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.823092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.823092 (E_RNA) where: Base-Base interactions energy: -548.187 where: short stacking energy: -242.300 Base-Backbone interact. energy: -1.865 local terms energy: -290.771211 where: bonds (distance) C4'-P energy: -66.179 bonds (distance) P-C4' energy: -64.591 flat angles C4'-P-C4' energy: -71.409 flat angles P-C4'-P energy: -45.292 tors. eta vs tors. theta energy: -43.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -601.020925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.020925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.020925 (E_RNA) where: Base-Base interactions energy: -341.543 where: short stacking energy: -183.480 Base-Backbone interact. energy: -2.749 local terms energy: -256.729318 where: bonds (distance) C4'-P energy: -64.180 bonds (distance) P-C4' energy: -71.930 flat angles C4'-P-C4' energy: -63.676 flat angles P-C4'-P energy: -34.202 tors. eta vs tors. theta energy: -22.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -544.772814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.772814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.772814 (E_RNA) where: Base-Base interactions energy: -309.762 where: short stacking energy: -153.975 Base-Backbone interact. energy: 0.370 local terms energy: -235.381081 where: bonds (distance) C4'-P energy: -71.470 bonds (distance) P-C4' energy: -64.494 flat angles C4'-P-C4' energy: -55.381 flat angles P-C4'-P energy: -38.142 tors. eta vs tors. theta energy: -5.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1441.483619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.483619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.483619 (E_RNA) where: Base-Base interactions energy: -1010.789 where: short stacking energy: -442.388 Base-Backbone interact. energy: -0.597 local terms energy: -430.097726 where: bonds (distance) C4'-P energy: -76.406 bonds (distance) P-C4' energy: -72.141 flat angles C4'-P-C4' energy: -93.459 flat angles P-C4'-P energy: -59.196 tors. eta vs tors. theta energy: -128.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1352.472554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.472554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.472554 (E_RNA) where: Base-Base interactions energy: -959.811 where: short stacking energy: -417.212 Base-Backbone interact. energy: 2.146 local terms energy: -394.808136 where: bonds (distance) C4'-P energy: -71.432 bonds (distance) P-C4' energy: -69.634 flat angles C4'-P-C4' energy: -86.584 flat angles P-C4'-P energy: -47.064 tors. eta vs tors. theta energy: -120.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1327.772666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.772666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.772666 (E_RNA) where: Base-Base interactions energy: -893.473 where: short stacking energy: -393.628 Base-Backbone interact. energy: -3.504 local terms energy: -430.795425 where: bonds (distance) C4'-P energy: -77.947 bonds (distance) P-C4' energy: -81.868 flat angles C4'-P-C4' energy: -88.648 flat angles P-C4'-P energy: -66.064 tors. eta vs tors. theta energy: -116.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1236.568688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.568688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.568688 (E_RNA) where: Base-Base interactions energy: -859.380 where: short stacking energy: -363.277 Base-Backbone interact. energy: 1.873 local terms energy: -379.062172 where: bonds (distance) C4'-P energy: -65.986 bonds (distance) P-C4' energy: -69.885 flat angles C4'-P-C4' energy: -87.265 flat angles P-C4'-P energy: -53.955 tors. eta vs tors. theta energy: -101.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1167.777643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.777643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.777643 (E_RNA) where: Base-Base interactions energy: -816.397 where: short stacking energy: -348.642 Base-Backbone interact. energy: 0.649 local terms energy: -352.030195 where: bonds (distance) C4'-P energy: -70.922 bonds (distance) P-C4' energy: -66.414 flat angles C4'-P-C4' energy: -78.055 flat angles P-C4'-P energy: -44.636 tors. eta vs tors. theta energy: -92.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -957.959215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.959215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.959215 (E_RNA) where: Base-Base interactions energy: -626.963 where: short stacking energy: -296.314 Base-Backbone interact. energy: 3.046 local terms energy: -334.042249 where: bonds (distance) C4'-P energy: -64.799 bonds (distance) P-C4' energy: -73.571 flat angles C4'-P-C4' energy: -72.796 flat angles P-C4'-P energy: -46.437 tors. eta vs tors. theta energy: -76.440 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: 4 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -994.507822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.507822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.507822 (E_RNA) where: Base-Base interactions energy: -672.357 where: short stacking energy: -289.467 Base-Backbone interact. energy: -1.493 local terms energy: -320.657496 where: bonds (distance) C4'-P energy: -61.331 bonds (distance) P-C4' energy: -62.838 flat angles C4'-P-C4' energy: -69.460 flat angles P-C4'-P energy: -49.019 tors. eta vs tors. theta energy: -78.010 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: 5 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -799.450859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.450859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.450859 (E_RNA) where: Base-Base interactions energy: -538.826 where: short stacking energy: -215.920 Base-Backbone interact. energy: -3.157 local terms energy: -257.467213 where: bonds (distance) C4'-P energy: -54.846 bonds (distance) P-C4' energy: -58.288 flat angles C4'-P-C4' energy: -55.755 flat angles P-C4'-P energy: -43.179 tors. eta vs tors. theta energy: -45.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -634.680258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.680258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.680258 (E_RNA) where: Base-Base interactions energy: -377.183 where: short stacking energy: -171.547 Base-Backbone interact. energy: 2.103 local terms energy: -259.600360 where: bonds (distance) C4'-P energy: -69.575 bonds (distance) P-C4' energy: -65.262 flat angles C4'-P-C4' energy: -57.688 flat angles P-C4'-P energy: -53.609 tors. eta vs tors. theta energy: -13.466 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: 2 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -579.984048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.984048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.984048 (E_RNA) where: Base-Base interactions energy: -322.497 where: short stacking energy: -159.850 Base-Backbone interact. energy: -1.580 local terms energy: -255.907243 where: bonds (distance) C4'-P energy: -62.522 bonds (distance) P-C4' energy: -77.420 flat angles C4'-P-C4' energy: -61.192 flat angles P-C4'-P energy: -34.607 tors. eta vs tors. theta energy: -20.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1433.433625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.433625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.433625 (E_RNA) where: Base-Base interactions energy: -987.544 where: short stacking energy: -417.835 Base-Backbone interact. energy: -2.005 local terms energy: -443.884657 where: bonds (distance) C4'-P energy: -80.024 bonds (distance) P-C4' energy: -79.666 flat angles C4'-P-C4' energy: -92.567 flat angles P-C4'-P energy: -55.523 tors. eta vs tors. theta energy: -136.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1343.296090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.296090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.296090 (E_RNA) where: Base-Base interactions energy: -923.287 where: short stacking energy: -394.352 Base-Backbone interact. energy: -3.253 local terms energy: -416.756292 where: bonds (distance) C4'-P energy: -82.462 bonds (distance) P-C4' energy: -78.941 flat angles C4'-P-C4' energy: -86.798 flat angles P-C4'-P energy: -64.003 tors. eta vs tors. theta energy: -104.552 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: 6 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1341.175027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.175027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.175027 (E_RNA) where: Base-Base interactions energy: -924.604 where: short stacking energy: -396.048 Base-Backbone interact. energy: 3.530 local terms energy: -420.101319 where: bonds (distance) C4'-P energy: -74.118 bonds (distance) P-C4' energy: -73.515 flat angles C4'-P-C4' energy: -95.227 flat angles P-C4'-P energy: -62.170 tors. eta vs tors. theta energy: -115.072 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: 3 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1255.529376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.529376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.529376 (E_RNA) where: Base-Base interactions energy: -869.555 where: short stacking energy: -385.045 Base-Backbone interact. energy: -2.380 local terms energy: -383.594109 where: bonds (distance) C4'-P energy: -66.566 bonds (distance) P-C4' energy: -81.079 flat angles C4'-P-C4' energy: -82.474 flat angles P-C4'-P energy: -53.464 tors. eta vs tors. theta energy: -100.011 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: 5, replica: 8 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1144.638943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.638943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.638943 (E_RNA) where: Base-Base interactions energy: -782.133 where: short stacking energy: -336.268 Base-Backbone interact. energy: -1.152 local terms energy: -361.353118 where: bonds (distance) C4'-P energy: -61.485 bonds (distance) P-C4' energy: -83.153 flat angles C4'-P-C4' energy: -87.684 flat angles P-C4'-P energy: -43.446 tors. eta vs tors. theta energy: -85.585 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: 4 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1074.963293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.963293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.963293 (E_RNA) where: Base-Base interactions energy: -723.224 where: short stacking energy: -319.271 Base-Backbone interact. energy: -0.755 local terms energy: -350.983955 where: bonds (distance) C4'-P energy: -63.520 bonds (distance) P-C4' energy: -81.309 flat angles C4'-P-C4' energy: -75.399 flat angles P-C4'-P energy: -52.361 tors. eta vs tors. theta energy: -78.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -926.203595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.203595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.203595 (E_RNA) where: Base-Base interactions energy: -619.545 where: short stacking energy: -279.565 Base-Backbone interact. energy: -0.600 local terms energy: -306.058269 where: bonds (distance) C4'-P energy: -64.984 bonds (distance) P-C4' energy: -67.918 flat angles C4'-P-C4' energy: -68.111 flat angles P-C4'-P energy: -37.521 tors. eta vs tors. theta energy: -67.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -790.518236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.518236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.518236 (E_RNA) where: Base-Base interactions energy: -501.223 where: short stacking energy: -243.317 Base-Backbone interact. energy: -2.150 local terms energy: -287.145402 where: bonds (distance) C4'-P energy: -65.033 bonds (distance) P-C4' energy: -79.034 flat angles C4'-P-C4' energy: -60.831 flat angles P-C4'-P energy: -34.726 tors. eta vs tors. theta energy: -47.521 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: 261 Temperature: 1.300000 Total energy: -605.609125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.609125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.609125 (E_RNA) where: Base-Base interactions energy: -379.800 where: short stacking energy: -170.636 Base-Backbone interact. energy: 2.183 local terms energy: -227.991690 where: bonds (distance) C4'-P energy: -46.880 bonds (distance) P-C4' energy: -67.895 flat angles C4'-P-C4' energy: -66.871 flat angles P-C4'-P energy: -37.731 tors. eta vs tors. theta energy: -8.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -555.210698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.210698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.210698 (E_RNA) where: Base-Base interactions energy: -330.826 where: short stacking energy: -179.795 Base-Backbone interact. energy: -2.235 local terms energy: -222.149856 where: bonds (distance) C4'-P energy: -58.023 bonds (distance) P-C4' energy: -62.572 flat angles C4'-P-C4' energy: -57.080 flat angles P-C4'-P energy: -27.746 tors. eta vs tors. theta energy: -16.729 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: 9 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1435.326743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.326743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.326743 (E_RNA) where: Base-Base interactions energy: -977.795 where: short stacking energy: -443.060 Base-Backbone interact. energy: -0.822 local terms energy: -456.709615 where: bonds (distance) C4'-P energy: -88.670 bonds (distance) P-C4' energy: -92.514 flat angles C4'-P-C4' energy: -87.909 flat angles P-C4'-P energy: -64.634 tors. eta vs tors. theta energy: -122.983 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: 262 Temperature: 0.950000 Total energy: -1388.910240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.910240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.910240 (E_RNA) where: Base-Base interactions energy: -958.565 where: short stacking energy: -420.981 Base-Backbone interact. energy: -0.422 local terms energy: -429.923474 where: bonds (distance) C4'-P energy: -82.637 bonds (distance) P-C4' energy: -83.435 flat angles C4'-P-C4' energy: -91.794 flat angles P-C4'-P energy: -53.738 tors. eta vs tors. theta energy: -118.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1340.952828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.952828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.952828 (E_RNA) where: Base-Base interactions energy: -927.143 where: short stacking energy: -402.723 Base-Backbone interact. energy: -0.563 local terms energy: -413.246068 where: bonds (distance) C4'-P energy: -77.794 bonds (distance) P-C4' energy: -74.803 flat angles C4'-P-C4' energy: -81.391 flat angles P-C4'-P energy: -61.471 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: 4, replica: 3 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1212.499991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.499991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.499991 (E_RNA) where: Base-Base interactions energy: -826.086 where: short stacking energy: -352.568 Base-Backbone interact. energy: -1.139 local terms energy: -385.274596 where: bonds (distance) C4'-P energy: -76.793 bonds (distance) P-C4' energy: -68.592 flat angles C4'-P-C4' energy: -82.911 flat angles P-C4'-P energy: -58.499 tors. eta vs tors. theta energy: -98.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1116.208723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.208723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.208723 (E_RNA) where: Base-Base interactions energy: -780.916 where: short stacking energy: -332.062 Base-Backbone interact. energy: -0.530 local terms energy: -334.762796 where: bonds (distance) C4'-P energy: -72.976 bonds (distance) P-C4' energy: -67.112 flat angles C4'-P-C4' energy: -68.756 flat angles P-C4'-P energy: -47.494 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: 6, replica: 4 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1034.366380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.366380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.366380 (E_RNA) where: Base-Base interactions energy: -685.781 where: short stacking energy: -337.991 Base-Backbone interact. energy: 0.240 local terms energy: -348.824749 where: bonds (distance) C4'-P energy: -55.844 bonds (distance) P-C4' energy: -73.922 flat angles C4'-P-C4' energy: -75.577 flat angles P-C4'-P energy: -51.003 tors. eta vs tors. theta energy: -92.479 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: 7, replica: 7 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -927.981599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.981599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.981599 (E_RNA) where: Base-Base interactions energy: -599.401 where: short stacking energy: -269.244 Base-Backbone interact. energy: 2.997 local terms energy: -331.577955 where: bonds (distance) C4'-P energy: -61.094 bonds (distance) P-C4' energy: -68.627 flat angles C4'-P-C4' energy: -90.968 flat angles P-C4'-P energy: -51.972 tors. eta vs tors. theta energy: -58.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -854.304744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.304744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.304744 (E_RNA) where: Base-Base interactions energy: -551.217 where: short stacking energy: -236.681 Base-Backbone interact. energy: 0.275 local terms energy: -303.363097 where: bonds (distance) C4'-P energy: -61.596 bonds (distance) P-C4' energy: -64.055 flat angles C4'-P-C4' energy: -63.095 flat angles P-C4'-P energy: -51.446 tors. eta vs tors. theta energy: -63.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -662.283365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.283365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.283365 (E_RNA) where: Base-Base interactions energy: -409.786 where: short stacking energy: -170.299 Base-Backbone interact. energy: 1.891 local terms energy: -254.388321 where: bonds (distance) C4'-P energy: -66.472 bonds (distance) P-C4' energy: -70.827 flat angles C4'-P-C4' energy: -59.287 flat angles P-C4'-P energy: -44.899 tors. eta vs tors. theta energy: -12.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -484.251259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.251259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.251259 (E_RNA) where: Base-Base interactions energy: -252.231 where: short stacking energy: -145.342 Base-Backbone interact. energy: -1.635 local terms energy: -230.384544 where: bonds (distance) C4'-P energy: -66.674 bonds (distance) P-C4' energy: -71.894 flat angles C4'-P-C4' energy: -52.644 flat angles P-C4'-P energy: -30.110 tors. eta vs tors. theta energy: -9.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1440.186957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.186957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.186957 (E_RNA) where: Base-Base interactions energy: -991.963 where: short stacking energy: -434.730 Base-Backbone interact. energy: -1.899 local terms energy: -446.325348 where: bonds (distance) C4'-P energy: -76.897 bonds (distance) P-C4' energy: -80.347 flat angles C4'-P-C4' energy: -89.536 flat angles P-C4'-P energy: -67.122 tors. eta vs tors. theta energy: -132.423 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: 10 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1364.213371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.213371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.213371 (E_RNA) where: Base-Base interactions energy: -942.573 where: short stacking energy: -403.813 Base-Backbone interact. energy: -0.934 local terms energy: -420.706252 where: bonds (distance) C4'-P energy: -75.415 bonds (distance) P-C4' energy: -77.069 flat angles C4'-P-C4' energy: -89.054 flat angles P-C4'-P energy: -59.552 tors. eta vs tors. theta energy: -119.616 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: 6 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1334.746783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.746783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.746783 (E_RNA) where: Base-Base interactions energy: -913.177 where: short stacking energy: -405.189 Base-Backbone interact. energy: 0.637 local terms energy: -422.207004 where: bonds (distance) C4'-P energy: -77.572 bonds (distance) P-C4' energy: -81.786 flat angles C4'-P-C4' energy: -87.301 flat angles P-C4'-P energy: -56.089 tors. eta vs tors. theta energy: -119.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1223.485602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.485602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.485602 (E_RNA) where: Base-Base interactions energy: -826.171 where: short stacking energy: -397.414 Base-Backbone interact. energy: -1.162 local terms energy: -396.153050 where: bonds (distance) C4'-P energy: -62.739 bonds (distance) P-C4' energy: -77.688 flat angles C4'-P-C4' energy: -86.663 flat angles P-C4'-P energy: -59.844 tors. eta vs tors. theta energy: -109.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1150.822471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.822471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.822471 (E_RNA) where: Base-Base interactions energy: -784.294 where: short stacking energy: -331.973 Base-Backbone interact. energy: -1.845 local terms energy: -364.684292 where: bonds (distance) C4'-P energy: -71.540 bonds (distance) P-C4' energy: -74.434 flat angles C4'-P-C4' energy: -84.078 flat angles P-C4'-P energy: -50.835 tors. eta vs tors. theta energy: -83.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1027.609434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.609434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.609434 (E_RNA) where: Base-Base interactions energy: -672.398 where: short stacking energy: -308.206 Base-Backbone interact. energy: -1.853 local terms energy: -353.358733 where: bonds (distance) C4'-P energy: -65.696 bonds (distance) P-C4' energy: -78.992 flat angles C4'-P-C4' energy: -74.318 flat angles P-C4'-P energy: -56.172 tors. eta vs tors. theta energy: -78.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -984.760508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.760508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.760508 (E_RNA) where: Base-Base interactions energy: -655.026 where: short stacking energy: -272.549 Base-Backbone interact. energy: -2.240 local terms energy: -327.494599 where: bonds (distance) C4'-P energy: -61.483 bonds (distance) P-C4' energy: -62.809 flat angles C4'-P-C4' energy: -68.445 flat angles P-C4'-P energy: -61.418 tors. eta vs tors. theta energy: -73.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -884.209183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.209183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.209183 (E_RNA) where: Base-Base interactions energy: -573.025 where: short stacking energy: -258.572 Base-Backbone interact. energy: -2.696 local terms energy: -308.487441 where: bonds (distance) C4'-P energy: -76.824 bonds (distance) P-C4' energy: -61.519 flat angles C4'-P-C4' energy: -63.767 flat angles P-C4'-P energy: -43.105 tors. eta vs tors. theta energy: -63.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -652.313727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.313727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.313727 (E_RNA) where: Base-Base interactions energy: -368.234 where: short stacking energy: -158.791 Base-Backbone interact. energy: -2.269 local terms energy: -281.810593 where: bonds (distance) C4'-P energy: -69.412 bonds (distance) P-C4' energy: -65.378 flat angles C4'-P-C4' energy: -67.374 flat angles P-C4'-P energy: -43.872 tors. eta vs tors. theta energy: -35.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -477.551816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.551816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.551816 (E_RNA) where: Base-Base interactions energy: -254.727 where: short stacking energy: -145.376 Base-Backbone interact. energy: 0.778 local terms energy: -223.602787 where: bonds (distance) C4'-P energy: -62.355 bonds (distance) P-C4' energy: -48.961 flat angles C4'-P-C4' energy: -54.224 flat angles P-C4'-P energy: -40.035 tors. eta vs tors. theta energy: -18.028 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: 9 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1446.547931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.547931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.547931 (E_RNA) where: Base-Base interactions energy: -1005.937 where: short stacking energy: -448.377 Base-Backbone interact. energy: -2.316 local terms energy: -438.294674 where: bonds (distance) C4'-P energy: -78.833 bonds (distance) P-C4' energy: -72.263 flat angles C4'-P-C4' energy: -89.649 flat angles P-C4'-P energy: -61.697 tors. eta vs tors. theta energy: -135.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1357.597475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.597475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.597475 (E_RNA) where: Base-Base interactions energy: -935.796 where: short stacking energy: -399.513 Base-Backbone interact. energy: -0.576 local terms energy: -421.225867 where: bonds (distance) C4'-P energy: -76.748 bonds (distance) P-C4' energy: -77.557 flat angles C4'-P-C4' energy: -92.509 flat angles P-C4'-P energy: -66.315 tors. eta vs tors. theta energy: -108.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1335.832155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.832155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.832155 (E_RNA) where: Base-Base interactions energy: -910.081 where: short stacking energy: -388.831 Base-Backbone interact. energy: -3.048 local terms energy: -422.702839 where: bonds (distance) C4'-P energy: -73.108 bonds (distance) P-C4' energy: -80.248 flat angles C4'-P-C4' energy: -89.267 flat angles P-C4'-P energy: -66.995 tors. eta vs tors. theta energy: -113.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1223.430787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.430787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.430787 (E_RNA) where: Base-Base interactions energy: -864.380 where: short stacking energy: -344.266 Base-Backbone interact. energy: -2.140 local terms energy: -356.910779 where: bonds (distance) C4'-P energy: -67.758 bonds (distance) P-C4' energy: -70.215 flat angles C4'-P-C4' energy: -79.544 flat angles P-C4'-P energy: -50.117 tors. eta vs tors. theta energy: -89.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1146.077760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.077760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.077760 (E_RNA) where: Base-Base interactions energy: -770.508 where: short stacking energy: -312.556 Base-Backbone interact. energy: -1.679 local terms energy: -373.891183 where: bonds (distance) C4'-P energy: -69.275 bonds (distance) P-C4' energy: -73.816 flat angles C4'-P-C4' energy: -75.804 flat angles P-C4'-P energy: -61.395 tors. eta vs tors. theta energy: -93.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1043.540045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.540045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.540045 (E_RNA) where: Base-Base interactions energy: -689.894 where: short stacking energy: -312.727 Base-Backbone interact. energy: -2.277 local terms energy: -351.368673 where: bonds (distance) C4'-P energy: -64.597 bonds (distance) P-C4' energy: -73.019 flat angles C4'-P-C4' energy: -62.000 flat angles P-C4'-P energy: -57.392 tors. eta vs tors. theta energy: -94.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1035.994209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.994209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.994209 (E_RNA) where: Base-Base interactions energy: -686.272 where: short stacking energy: -307.338 Base-Backbone interact. energy: -2.293 local terms energy: -347.429161 where: bonds (distance) C4'-P energy: -65.927 bonds (distance) P-C4' energy: -74.194 flat angles C4'-P-C4' energy: -76.056 flat angles P-C4'-P energy: -50.941 tors. eta vs tors. theta energy: -80.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -912.393887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.393887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.393887 (E_RNA) where: Base-Base interactions energy: -586.189 where: short stacking energy: -278.216 Base-Backbone interact. energy: -1.631 local terms energy: -324.573971 where: bonds (distance) C4'-P energy: -63.750 bonds (distance) P-C4' energy: -68.125 flat angles C4'-P-C4' energy: -65.481 flat angles P-C4'-P energy: -53.474 tors. eta vs tors. theta energy: -73.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -640.262843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.262843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.262843 (E_RNA) where: Base-Base interactions energy: -387.370 where: short stacking energy: -186.050 Base-Backbone interact. energy: 0.788 local terms energy: -253.681166 where: bonds (distance) C4'-P energy: -54.750 bonds (distance) P-C4' energy: -67.836 flat angles C4'-P-C4' energy: -62.903 flat angles P-C4'-P energy: -53.749 tors. eta vs tors. theta energy: -14.444 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: 10, replica: 2 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -523.085255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.085255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.085255 (E_RNA) where: Base-Base interactions energy: -280.138 where: short stacking energy: -148.599 Base-Backbone interact. energy: -3.946 local terms energy: -239.000894 where: bonds (distance) C4'-P energy: -63.147 bonds (distance) P-C4' energy: -71.949 flat angles C4'-P-C4' energy: -66.783 flat angles P-C4'-P energy: -23.727 tors. eta vs tors. theta energy: -13.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1436.054534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.054534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.054534 (E_RNA) where: Base-Base interactions energy: -1004.750 where: short stacking energy: -452.427 Base-Backbone interact. energy: -2.187 local terms energy: -429.118012 where: bonds (distance) C4'-P energy: -59.979 bonds (distance) P-C4' energy: -80.895 flat angles C4'-P-C4' energy: -88.099 flat angles P-C4'-P energy: -64.510 tors. eta vs tors. theta energy: -135.635 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: 6 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1345.091331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.091331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.091331 (E_RNA) where: Base-Base interactions energy: -942.550 where: short stacking energy: -413.041 Base-Backbone interact. energy: -3.628 local terms energy: -398.913047 where: bonds (distance) C4'-P energy: -67.035 bonds (distance) P-C4' energy: -76.683 flat angles C4'-P-C4' energy: -80.943 flat angles P-C4'-P energy: -58.549 tors. eta vs tors. theta energy: -115.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1316.011365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.011365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.011365 (E_RNA) where: Base-Base interactions energy: -904.372 where: short stacking energy: -392.728 Base-Backbone interact. energy: 1.239 local terms energy: -412.878213 where: bonds (distance) C4'-P energy: -82.077 bonds (distance) P-C4' energy: -81.811 flat angles C4'-P-C4' energy: -86.776 flat angles P-C4'-P energy: -54.263 tors. eta vs tors. theta energy: -107.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1245.045870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.045870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.045870 (E_RNA) where: Base-Base interactions energy: -870.021 where: short stacking energy: -362.330 Base-Backbone interact. energy: -2.055 local terms energy: -372.969420 where: bonds (distance) C4'-P energy: -63.770 bonds (distance) P-C4' energy: -69.044 flat angles C4'-P-C4' energy: -85.776 flat angles P-C4'-P energy: -54.071 tors. eta vs tors. theta energy: -100.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1123.944457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.944457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.944457 (E_RNA) where: Base-Base interactions energy: -770.243 where: short stacking energy: -330.890 Base-Backbone interact. energy: -0.388 local terms energy: -353.313518 where: bonds (distance) C4'-P energy: -66.233 bonds (distance) P-C4' energy: -68.121 flat angles C4'-P-C4' energy: -79.018 flat angles P-C4'-P energy: -51.593 tors. eta vs tors. theta energy: -88.348 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: 7 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1057.240273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.240273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.240273 (E_RNA) where: Base-Base interactions energy: -697.449 where: short stacking energy: -311.144 Base-Backbone interact. energy: -0.893 local terms energy: -358.897843 where: bonds (distance) C4'-P energy: -76.967 bonds (distance) P-C4' energy: -78.370 flat angles C4'-P-C4' energy: -74.361 flat angles P-C4'-P energy: -53.161 tors. eta vs tors. theta energy: -76.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1043.871542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.871542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.871542 (E_RNA) where: Base-Base interactions energy: -695.201 where: short stacking energy: -301.781 Base-Backbone interact. energy: -0.727 local terms energy: -347.943510 where: bonds (distance) C4'-P energy: -68.641 bonds (distance) P-C4' energy: -76.499 flat angles C4'-P-C4' energy: -81.698 flat angles P-C4'-P energy: -42.505 tors. eta vs tors. theta energy: -78.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -926.832718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.832718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.832718 (E_RNA) where: Base-Base interactions energy: -624.849 where: short stacking energy: -267.393 Base-Backbone interact. energy: -1.072 local terms energy: -300.911621 where: bonds (distance) C4'-P energy: -67.036 bonds (distance) P-C4' energy: -59.541 flat angles C4'-P-C4' energy: -68.971 flat angles P-C4'-P energy: -42.465 tors. eta vs tors. theta energy: -62.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -696.135671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.135671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.135671 (E_RNA) where: Base-Base interactions energy: -432.790 where: short stacking energy: -198.961 Base-Backbone interact. energy: -1.305 local terms energy: -262.041003 where: bonds (distance) C4'-P energy: -62.463 bonds (distance) P-C4' energy: -65.843 flat angles C4'-P-C4' energy: -64.341 flat angles P-C4'-P energy: -43.336 tors. eta vs tors. theta energy: -26.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -587.099110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.099110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.099110 (E_RNA) where: Base-Base interactions energy: -341.892 where: short stacking energy: -171.579 Base-Backbone interact. energy: 4.752 local terms energy: -249.959223 where: bonds (distance) C4'-P energy: -68.763 bonds (distance) P-C4' energy: -74.757 flat angles C4'-P-C4' energy: -51.126 flat angles P-C4'-P energy: -35.907 tors. eta vs tors. theta energy: -19.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1432.121177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.121177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.121177 (E_RNA) where: Base-Base interactions energy: -981.214 where: short stacking energy: -422.913 Base-Backbone interact. energy: -1.787 local terms energy: -449.120042 where: bonds (distance) C4'-P energy: -75.885 bonds (distance) P-C4' energy: -80.619 flat angles C4'-P-C4' energy: -86.938 flat angles P-C4'-P energy: -69.374 tors. eta vs tors. theta energy: -136.303 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: 6 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1360.706971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.706971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.706971 (E_RNA) where: Base-Base interactions energy: -957.515 where: short stacking energy: -403.500 Base-Backbone interact. energy: -3.279 local terms energy: -399.912422 where: bonds (distance) C4'-P energy: -65.366 bonds (distance) P-C4' energy: -70.474 flat angles C4'-P-C4' energy: -81.536 flat angles P-C4'-P energy: -65.255 tors. eta vs tors. theta energy: -117.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1284.993950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.993950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.993950 (E_RNA) where: Base-Base interactions energy: -914.175 where: short stacking energy: -385.829 Base-Backbone interact. energy: 2.069 local terms energy: -372.887858 where: bonds (distance) C4'-P energy: -66.247 bonds (distance) P-C4' energy: -70.849 flat angles C4'-P-C4' energy: -79.953 flat angles P-C4'-P energy: -51.927 tors. eta vs tors. theta energy: -103.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1262.206224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.206224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.206224 (E_RNA) where: Base-Base interactions energy: -881.285 where: short stacking energy: -366.476 Base-Backbone interact. energy: 1.843 local terms energy: -382.763704 where: bonds (distance) C4'-P energy: -68.065 bonds (distance) P-C4' energy: -78.683 flat angles C4'-P-C4' energy: -79.426 flat angles P-C4'-P energy: -55.009 tors. eta vs tors. theta energy: -101.581 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: 5, replica: 8 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1177.763814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.763814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.763814 (E_RNA) where: Base-Base interactions energy: -823.212 where: short stacking energy: -345.667 Base-Backbone interact. energy: -1.055 local terms energy: -353.496519 where: bonds (distance) C4'-P energy: -65.166 bonds (distance) P-C4' energy: -58.892 flat angles C4'-P-C4' energy: -82.437 flat angles P-C4'-P energy: -57.010 tors. eta vs tors. theta energy: -89.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1006.314100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.314100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.314100 (E_RNA) where: Base-Base interactions energy: -691.164 where: short stacking energy: -295.910 Base-Backbone interact. energy: -0.338 local terms energy: -314.811693 where: bonds (distance) C4'-P energy: -74.737 bonds (distance) P-C4' energy: -55.677 flat angles C4'-P-C4' energy: -65.988 flat angles P-C4'-P energy: -47.635 tors. eta vs tors. theta energy: -70.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -970.895238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.895238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.895238 (E_RNA) where: Base-Base interactions energy: -643.836 where: short stacking energy: -279.798 Base-Backbone interact. energy: -1.935 local terms energy: -325.124800 where: bonds (distance) C4'-P energy: -68.353 bonds (distance) P-C4' energy: -64.502 flat angles C4'-P-C4' energy: -68.332 flat angles P-C4'-P energy: -49.271 tors. eta vs tors. theta energy: -74.667 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: 4 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -973.541294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.541294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.541294 (E_RNA) where: Base-Base interactions energy: -641.510 where: short stacking energy: -301.036 Base-Backbone interact. energy: -0.972 local terms energy: -331.059053 where: bonds (distance) C4'-P energy: -69.129 bonds (distance) P-C4' energy: -73.340 flat angles C4'-P-C4' energy: -65.770 flat angles P-C4'-P energy: -41.293 tors. eta vs tors. theta energy: -81.527 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: 266 Temperature: 1.300000 Total energy: -675.058717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.058717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.058717 (E_RNA) where: Base-Base interactions energy: -435.392 where: short stacking energy: -209.625 Base-Backbone interact. energy: -2.310 local terms energy: -237.356699 where: bonds (distance) C4'-P energy: -56.038 bonds (distance) P-C4' energy: -57.340 flat angles C4'-P-C4' energy: -48.122 flat angles P-C4'-P energy: -37.957 tors. eta vs tors. theta energy: -37.900 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: 2 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -523.293630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.293630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.293630 (E_RNA) where: Base-Base interactions energy: -293.572 where: short stacking energy: -156.381 Base-Backbone interact. energy: -1.533 local terms energy: -228.188654 where: bonds (distance) C4'-P energy: -75.909 bonds (distance) P-C4' energy: -63.908 flat angles C4'-P-C4' energy: -51.501 flat angles P-C4'-P energy: -35.622 tors. eta vs tors. theta energy: -1.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1442.895226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.895226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.895226 (E_RNA) where: Base-Base interactions energy: -990.791 where: short stacking energy: -446.183 Base-Backbone interact. energy: -0.542 local terms energy: -451.561964 where: bonds (distance) C4'-P energy: -78.606 bonds (distance) P-C4' energy: -85.510 flat angles C4'-P-C4' energy: -91.551 flat angles P-C4'-P energy: -64.118 tors. eta vs tors. theta energy: -131.776 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: 6 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1345.357969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.357969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.357969 (E_RNA) where: Base-Base interactions energy: -940.712 where: short stacking energy: -411.357 Base-Backbone interact. energy: 5.266 local terms energy: -409.911608 where: bonds (distance) C4'-P energy: -64.501 bonds (distance) P-C4' energy: -83.166 flat angles C4'-P-C4' energy: -90.393 flat angles P-C4'-P energy: -57.797 tors. eta vs tors. theta energy: -114.054 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: 3 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1269.257472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.257472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.257472 (E_RNA) where: Base-Base interactions energy: -888.434 where: short stacking energy: -367.327 Base-Backbone interact. energy: 1.628 local terms energy: -382.451494 where: bonds (distance) C4'-P energy: -71.985 bonds (distance) P-C4' energy: -71.984 flat angles C4'-P-C4' energy: -87.859 flat angles P-C4'-P energy: -51.700 tors. eta vs tors. theta energy: -98.924 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: 10 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1289.380241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.380241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.380241 (E_RNA) where: Base-Base interactions energy: -915.414 where: short stacking energy: -369.902 Base-Backbone interact. energy: 0.004 local terms energy: -373.969755 where: bonds (distance) C4'-P energy: -66.582 bonds (distance) P-C4' energy: -60.774 flat angles C4'-P-C4' energy: -76.366 flat angles P-C4'-P energy: -65.074 tors. eta vs tors. theta energy: -105.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1180.433316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.433316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.433316 (E_RNA) where: Base-Base interactions energy: -795.260 where: short stacking energy: -314.271 Base-Backbone interact. energy: -1.432 local terms energy: -383.741744 where: bonds (distance) C4'-P energy: -77.436 bonds (distance) P-C4' energy: -83.112 flat angles C4'-P-C4' energy: -71.865 flat angles P-C4'-P energy: -60.687 tors. eta vs tors. theta energy: -90.643 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: 7 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -996.715315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.715315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.715315 (E_RNA) where: Base-Base interactions energy: -687.299 where: short stacking energy: -285.764 Base-Backbone interact. energy: -0.642 local terms energy: -308.773490 where: bonds (distance) C4'-P energy: -58.368 bonds (distance) P-C4' energy: -73.552 flat angles C4'-P-C4' energy: -73.259 flat angles P-C4'-P energy: -41.548 tors. eta vs tors. theta energy: -62.046 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: 5 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -987.934189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.934189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.934189 (E_RNA) where: Base-Base interactions energy: -666.056 where: short stacking energy: -283.966 Base-Backbone interact. energy: 0.785 local terms energy: -322.662982 where: bonds (distance) C4'-P energy: -66.876 bonds (distance) P-C4' energy: -48.488 flat angles C4'-P-C4' energy: -83.451 flat angles P-C4'-P energy: -56.698 tors. eta vs tors. theta energy: -67.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -908.052521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.052521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.052521 (E_RNA) where: Base-Base interactions energy: -619.203 where: short stacking energy: -273.324 Base-Backbone interact. energy: -1.349 local terms energy: -287.500203 where: bonds (distance) C4'-P energy: -56.513 bonds (distance) P-C4' energy: -69.118 flat angles C4'-P-C4' energy: -59.607 flat angles P-C4'-P energy: -39.396 tors. eta vs tors. theta energy: -62.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -658.823485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.823485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.823485 (E_RNA) where: Base-Base interactions energy: -398.439 where: short stacking energy: -200.717 Base-Backbone interact. energy: -2.289 local terms energy: -258.096219 where: bonds (distance) C4'-P energy: -58.327 bonds (distance) P-C4' energy: -53.658 flat angles C4'-P-C4' energy: -68.951 flat angles P-C4'-P energy: -35.489 tors. eta vs tors. theta energy: -41.672 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: 2 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -536.877908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.877908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.877908 (E_RNA) where: Base-Base interactions energy: -284.328 where: short stacking energy: -137.202 Base-Backbone interact. energy: -3.117 local terms energy: -249.432620 where: bonds (distance) C4'-P energy: -72.244 bonds (distance) P-C4' energy: -60.478 flat angles C4'-P-C4' energy: -65.610 flat angles P-C4'-P energy: -45.450 tors. eta vs tors. theta energy: -5.651 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: 9 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1429.295485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.295485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.295485 (E_RNA) where: Base-Base interactions energy: -974.799 where: short stacking energy: -436.715 Base-Backbone interact. energy: -2.696 local terms energy: -451.801232 where: bonds (distance) C4'-P energy: -77.958 bonds (distance) P-C4' energy: -79.276 flat angles C4'-P-C4' energy: -89.380 flat angles P-C4'-P energy: -73.881 tors. eta vs tors. theta energy: -131.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1342.849744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.849744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.849744 (E_RNA) where: Base-Base interactions energy: -948.475 where: short stacking energy: -407.207 Base-Backbone interact. energy: -1.765 local terms energy: -392.609775 where: bonds (distance) C4'-P energy: -69.830 bonds (distance) P-C4' energy: -70.205 flat angles C4'-P-C4' energy: -88.060 flat angles P-C4'-P energy: -50.970 tors. eta vs tors. theta energy: -113.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1289.205351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.205351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.205351 (E_RNA) where: Base-Base interactions energy: -917.703 where: short stacking energy: -376.987 Base-Backbone interact. energy: -1.768 local terms energy: -369.734649 where: bonds (distance) C4'-P energy: -70.682 bonds (distance) P-C4' energy: -73.646 flat angles C4'-P-C4' energy: -77.502 flat angles P-C4'-P energy: -53.347 tors. eta vs tors. theta energy: -94.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1231.224831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.224831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.224831 (E_RNA) where: Base-Base interactions energy: -853.099 where: short stacking energy: -364.757 Base-Backbone interact. energy: -1.290 local terms energy: -376.835456 where: bonds (distance) C4'-P energy: -74.829 bonds (distance) P-C4' energy: -71.083 flat angles C4'-P-C4' energy: -79.481 flat angles P-C4'-P energy: -51.089 tors. eta vs tors. theta energy: -100.354 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: 8 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1174.129016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.129016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.129016 (E_RNA) where: Base-Base interactions energy: -794.424 where: short stacking energy: -339.265 Base-Backbone interact. energy: -1.820 local terms energy: -377.884676 where: bonds (distance) C4'-P energy: -83.554 bonds (distance) P-C4' energy: -63.376 flat angles C4'-P-C4' energy: -83.172 flat angles P-C4'-P energy: -50.506 tors. eta vs tors. theta energy: -97.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1010.560531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.560531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.560531 (E_RNA) where: Base-Base interactions energy: -707.248 where: short stacking energy: -300.923 Base-Backbone interact. energy: -0.026 local terms energy: -303.287073 where: bonds (distance) C4'-P energy: -60.237 bonds (distance) P-C4' energy: -64.704 flat angles C4'-P-C4' energy: -70.857 flat angles P-C4'-P energy: -44.479 tors. eta vs tors. theta energy: -63.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1027.490668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.490668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.490668 (E_RNA) where: Base-Base interactions energy: -671.707 where: short stacking energy: -298.321 Base-Backbone interact. energy: -2.138 local terms energy: -353.644929 where: bonds (distance) C4'-P energy: -73.821 bonds (distance) P-C4' energy: -72.982 flat angles C4'-P-C4' energy: -74.012 flat angles P-C4'-P energy: -51.591 tors. eta vs tors. theta energy: -81.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -887.826878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.826878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.826878 (E_RNA) where: Base-Base interactions energy: -605.206 where: short stacking energy: -260.145 Base-Backbone interact. energy: 0.725 local terms energy: -283.344975 where: bonds (distance) C4'-P energy: -55.945 bonds (distance) P-C4' energy: -66.855 flat angles C4'-P-C4' energy: -73.083 flat angles P-C4'-P energy: -33.218 tors. eta vs tors. theta energy: -54.244 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: 268 Temperature: 1.300000 Total energy: -666.374405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.374405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.374405 (E_RNA) where: Base-Base interactions energy: -427.999 where: short stacking energy: -197.559 Base-Backbone interact. energy: 4.710 local terms energy: -243.085422 where: bonds (distance) C4'-P energy: -45.355 bonds (distance) P-C4' energy: -57.689 flat angles C4'-P-C4' energy: -54.830 flat angles P-C4'-P energy: -51.362 tors. eta vs tors. theta energy: -33.850 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: 10, replica: 2 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -545.413761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.413761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.413761 (E_RNA) where: Base-Base interactions energy: -307.322 where: short stacking energy: -166.346 Base-Backbone interact. energy: -0.927 local terms energy: -237.164524 where: bonds (distance) C4'-P energy: -69.525 bonds (distance) P-C4' energy: -70.907 flat angles C4'-P-C4' energy: -65.376 flat angles P-C4'-P energy: -28.770 tors. eta vs tors. theta energy: -2.586 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: 9 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1422.658047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.658047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.658047 (E_RNA) where: Base-Base interactions energy: -989.722 where: short stacking energy: -434.893 Base-Backbone interact. energy: -1.288 local terms energy: -431.647879 where: bonds (distance) C4'-P energy: -76.403 bonds (distance) P-C4' energy: -77.312 flat angles C4'-P-C4' energy: -86.318 flat angles P-C4'-P energy: -65.356 tors. eta vs tors. theta energy: -126.259 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: 269 Temperature: 0.950000 Total energy: -1347.696187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.696187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.696187 (E_RNA) where: Base-Base interactions energy: -926.645 where: short stacking energy: -391.159 Base-Backbone interact. energy: -1.632 local terms energy: -419.419256 where: bonds (distance) C4'-P energy: -81.578 bonds (distance) P-C4' energy: -77.671 flat angles C4'-P-C4' energy: -83.191 flat angles P-C4'-P energy: -59.219 tors. eta vs tors. theta energy: -117.761 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: 3, replica: 6 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1302.540295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.540295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.540295 (E_RNA) where: Base-Base interactions energy: -907.810 where: short stacking energy: -382.946 Base-Backbone interact. energy: -1.687 local terms energy: -393.043225 where: bonds (distance) C4'-P energy: -70.697 bonds (distance) P-C4' energy: -60.834 flat angles C4'-P-C4' energy: -91.637 flat angles P-C4'-P energy: -58.156 tors. eta vs tors. theta energy: -111.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1246.197536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.197536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.197536 (E_RNA) where: Base-Base interactions energy: -854.900 where: short stacking energy: -349.786 Base-Backbone interact. energy: -4.795 local terms energy: -386.502574 where: bonds (distance) C4'-P energy: -75.383 bonds (distance) P-C4' energy: -75.104 flat angles C4'-P-C4' energy: -80.450 flat angles P-C4'-P energy: -46.837 tors. eta vs tors. theta energy: -108.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1165.172101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.172101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.172101 (E_RNA) where: Base-Base interactions energy: -805.069 where: short stacking energy: -342.650 Base-Backbone interact. energy: -2.307 local terms energy: -357.796555 where: bonds (distance) C4'-P energy: -66.728 bonds (distance) P-C4' energy: -67.416 flat angles C4'-P-C4' energy: -81.003 flat angles P-C4'-P energy: -54.481 tors. eta vs tors. theta energy: -88.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1011.964292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.964292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.964292 (E_RNA) where: Base-Base interactions energy: -670.798 where: short stacking energy: -287.950 Base-Backbone interact. energy: -1.363 local terms energy: -339.803935 where: bonds (distance) C4'-P energy: -76.678 bonds (distance) P-C4' energy: -75.248 flat angles C4'-P-C4' energy: -81.400 flat angles P-C4'-P energy: -46.946 tors. eta vs tors. theta energy: -59.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1076.208497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.208497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.208497 (E_RNA) where: Base-Base interactions energy: -729.732 where: short stacking energy: -316.244 Base-Backbone interact. energy: -2.281 local terms energy: -344.195601 where: bonds (distance) C4'-P energy: -74.651 bonds (distance) P-C4' energy: -71.651 flat angles C4'-P-C4' energy: -58.159 flat angles P-C4'-P energy: -49.000 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: 4 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -814.614569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.614569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.614569 (E_RNA) where: Base-Base interactions energy: -501.526 where: short stacking energy: -242.596 Base-Backbone interact. energy: 1.998 local terms energy: -315.087427 where: bonds (distance) C4'-P energy: -77.298 bonds (distance) P-C4' energy: -65.740 flat angles C4'-P-C4' energy: -71.928 flat angles P-C4'-P energy: -42.248 tors. eta vs tors. theta energy: -57.873 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: 269 Temperature: 1.300000 Total energy: -653.344479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.344479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.344479 (E_RNA) where: Base-Base interactions energy: -390.687 where: short stacking energy: -195.296 Base-Backbone interact. energy: -2.425 local terms energy: -260.232424 where: bonds (distance) C4'-P energy: -69.457 bonds (distance) P-C4' energy: -70.690 flat angles C4'-P-C4' energy: -53.431 flat angles P-C4'-P energy: -39.795 tors. eta vs tors. theta energy: -26.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -496.033847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.033847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.033847 (E_RNA) where: Base-Base interactions energy: -290.682 where: short stacking energy: -131.466 Base-Backbone interact. energy: 0.150 local terms energy: -205.501912 where: bonds (distance) C4'-P energy: -59.498 bonds (distance) P-C4' energy: -62.559 flat angles C4'-P-C4' energy: -46.083 flat angles P-C4'-P energy: -34.537 tors. eta vs tors. theta energy: -2.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1442.325841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.325841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.325841 (E_RNA) where: Base-Base interactions energy: -985.855 where: short stacking energy: -425.780 Base-Backbone interact. energy: -1.723 local terms energy: -454.747740 where: bonds (distance) C4'-P energy: -81.254 bonds (distance) P-C4' energy: -86.816 flat angles C4'-P-C4' energy: -97.992 flat angles P-C4'-P energy: -64.451 tors. eta vs tors. theta energy: -124.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1349.113020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.113020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.113020 (E_RNA) where: Base-Base interactions energy: -933.496 where: short stacking energy: -398.811 Base-Backbone interact. energy: -3.400 local terms energy: -412.217897 where: bonds (distance) C4'-P energy: -76.705 bonds (distance) P-C4' energy: -70.859 flat angles C4'-P-C4' energy: -95.642 flat angles P-C4'-P energy: -61.069 tors. eta vs tors. theta energy: -107.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1337.331627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.331627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.331627 (E_RNA) where: Base-Base interactions energy: -913.349 where: short stacking energy: -397.386 Base-Backbone interact. energy: -3.003 local terms energy: -420.979648 where: bonds (distance) C4'-P energy: -73.670 bonds (distance) P-C4' energy: -76.451 flat angles C4'-P-C4' energy: -90.502 flat angles P-C4'-P energy: -58.751 tors. eta vs tors. theta energy: -121.606 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: 3 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1230.138164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.138164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.138164 (E_RNA) where: Base-Base interactions energy: -845.839 where: short stacking energy: -345.926 Base-Backbone interact. energy: -0.825 local terms energy: -383.474278 where: bonds (distance) C4'-P energy: -64.419 bonds (distance) P-C4' energy: -81.197 flat angles C4'-P-C4' energy: -76.846 flat angles P-C4'-P energy: -56.878 tors. eta vs tors. theta energy: -104.134 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: 5, replica: 8 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1147.564399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.564399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.564399 (E_RNA) where: Base-Base interactions energy: -772.740 where: short stacking energy: -339.367 Base-Backbone interact. energy: -0.813 local terms energy: -374.010789 where: bonds (distance) C4'-P energy: -76.962 bonds (distance) P-C4' energy: -77.486 flat angles C4'-P-C4' energy: -74.528 flat angles P-C4'-P energy: -55.648 tors. eta vs tors. theta energy: -89.387 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: 7 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -965.687738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.687738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.687738 (E_RNA) where: Base-Base interactions energy: -623.469 where: short stacking energy: -259.030 Base-Backbone interact. energy: -2.374 local terms energy: -339.844608 where: bonds (distance) C4'-P energy: -66.584 bonds (distance) P-C4' energy: -77.514 flat angles C4'-P-C4' energy: -78.255 flat angles P-C4'-P energy: -46.334 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: 7, replica: 5 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1071.298746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.298746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.298746 (E_RNA) where: Base-Base interactions energy: -718.167 where: short stacking energy: -323.657 Base-Backbone interact. energy: 1.319 local terms energy: -354.450304 where: bonds (distance) C4'-P energy: -62.992 bonds (distance) P-C4' energy: -69.596 flat angles C4'-P-C4' energy: -77.803 flat angles P-C4'-P energy: -44.827 tors. eta vs tors. theta energy: -99.233 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: 4 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -779.051980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.051980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.051980 (E_RNA) where: Base-Base interactions energy: -516.247 where: short stacking energy: -227.450 Base-Backbone interact. energy: -1.458 local terms energy: -261.347042 where: bonds (distance) C4'-P energy: -43.848 bonds (distance) P-C4' energy: -58.101 flat angles C4'-P-C4' energy: -63.071 flat angles P-C4'-P energy: -46.634 tors. eta vs tors. theta energy: -49.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -636.222741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.222741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.222741 (E_RNA) where: Base-Base interactions energy: -371.846 where: short stacking energy: -179.890 Base-Backbone interact. energy: 0.481 local terms energy: -264.857716 where: bonds (distance) C4'-P energy: -66.675 bonds (distance) P-C4' energy: -75.147 flat angles C4'-P-C4' energy: -51.161 flat angles P-C4'-P energy: -46.740 tors. eta vs tors. theta energy: -25.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -559.029660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.029660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.029660 (E_RNA) where: Base-Base interactions energy: -313.407 where: short stacking energy: -171.634 Base-Backbone interact. energy: 0.361 local terms energy: -245.983306 where: bonds (distance) C4'-P energy: -63.148 bonds (distance) P-C4' energy: -64.327 flat angles C4'-P-C4' energy: -61.047 flat angles P-C4'-P energy: -36.289 tors. eta vs tors. theta energy: -21.173 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: 1, replica: 9 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1439.307816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.307816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.307816 (E_RNA) where: Base-Base interactions energy: -1013.028 where: short stacking energy: -438.202 Base-Backbone interact. energy: 0.301 local terms energy: -426.580842 where: bonds (distance) C4'-P energy: -70.541 bonds (distance) P-C4' energy: -81.050 flat angles C4'-P-C4' energy: -88.468 flat angles P-C4'-P energy: -56.771 tors. eta vs tors. theta energy: -129.750 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: 10 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1358.400461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.400461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.400461 (E_RNA) where: Base-Base interactions energy: -953.493 where: short stacking energy: -405.721 Base-Backbone interact. energy: -0.922 local terms energy: -403.984828 where: bonds (distance) C4'-P energy: -74.709 bonds (distance) P-C4' energy: -70.431 flat angles C4'-P-C4' energy: -89.977 flat angles P-C4'-P energy: -54.719 tors. eta vs tors. theta energy: -114.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1334.541933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.541933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.541933 (E_RNA) where: Base-Base interactions energy: -907.053 where: short stacking energy: -388.147 Base-Backbone interact. energy: -1.245 local terms energy: -426.243971 where: bonds (distance) C4'-P energy: -80.615 bonds (distance) P-C4' energy: -80.094 flat angles C4'-P-C4' energy: -86.832 flat angles P-C4'-P energy: -63.743 tors. eta vs tors. theta energy: -114.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1249.506254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.506254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.506254 (E_RNA) where: Base-Base interactions energy: -847.671 where: short stacking energy: -345.963 Base-Backbone interact. energy: 0.289 local terms energy: -402.124078 where: bonds (distance) C4'-P energy: -79.845 bonds (distance) P-C4' energy: -72.434 flat angles C4'-P-C4' energy: -82.203 flat angles P-C4'-P energy: -63.049 tors. eta vs tors. theta energy: -104.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1166.014948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.014948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.014948 (E_RNA) where: Base-Base interactions energy: -802.799 where: short stacking energy: -333.766 Base-Backbone interact. energy: -0.357 local terms energy: -362.859376 where: bonds (distance) C4'-P energy: -71.794 bonds (distance) P-C4' energy: -72.792 flat angles C4'-P-C4' energy: -76.474 flat angles P-C4'-P energy: -46.276 tors. eta vs tors. theta energy: -95.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1058.946134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.946134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.946134 (E_RNA) where: Base-Base interactions energy: -702.767 where: short stacking energy: -288.158 Base-Backbone interact. energy: -1.460 local terms energy: -354.719123 where: bonds (distance) C4'-P energy: -77.729 bonds (distance) P-C4' energy: -79.447 flat angles C4'-P-C4' energy: -65.547 flat angles P-C4'-P energy: -51.930 tors. eta vs tors. theta energy: -80.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -931.349154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.349154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.349154 (E_RNA) where: Base-Base interactions energy: -606.047 where: short stacking energy: -271.614 Base-Backbone interact. energy: -2.173 local terms energy: -323.128371 where: bonds (distance) C4'-P energy: -64.996 bonds (distance) P-C4' energy: -77.621 flat angles C4'-P-C4' energy: -71.781 flat angles P-C4'-P energy: -51.219 tors. eta vs tors. theta energy: -57.510 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: 4 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -773.862289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.862289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.862289 (E_RNA) where: Base-Base interactions energy: -484.357 where: short stacking energy: -238.602 Base-Backbone interact. energy: -0.757 local terms energy: -288.747704 where: bonds (distance) C4'-P energy: -80.466 bonds (distance) P-C4' energy: -71.774 flat angles C4'-P-C4' energy: -51.731 flat angles P-C4'-P energy: -41.377 tors. eta vs tors. theta energy: -43.400 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: 271 Temperature: 1.300000 Total energy: -582.930059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.930059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.930059 (E_RNA) where: Base-Base interactions energy: -351.771 where: short stacking energy: -169.580 Base-Backbone interact. energy: -0.404 local terms energy: -230.754822 where: bonds (distance) C4'-P energy: -70.387 bonds (distance) P-C4' energy: -61.577 flat angles C4'-P-C4' energy: -68.259 flat angles P-C4'-P energy: -15.853 tors. eta vs tors. theta energy: -14.679 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: 10, replica: 2 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -567.717426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.717426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.717426 (E_RNA) where: Base-Base interactions energy: -332.140 where: short stacking energy: -178.077 Base-Backbone interact. energy: 1.459 local terms energy: -237.035982 where: bonds (distance) C4'-P energy: -66.844 bonds (distance) P-C4' energy: -67.680 flat angles C4'-P-C4' energy: -47.200 flat angles P-C4'-P energy: -34.554 tors. eta vs tors. theta energy: -20.758 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: 9 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1432.863852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.863852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.863852 (E_RNA) where: Base-Base interactions energy: -987.613 where: short stacking energy: -454.371 Base-Backbone interact. energy: -0.360 local terms energy: -444.890968 where: bonds (distance) C4'-P energy: -74.628 bonds (distance) P-C4' energy: -71.941 flat angles C4'-P-C4' energy: -96.802 flat angles P-C4'-P energy: -66.611 tors. eta vs tors. theta energy: -134.910 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: 272 Temperature: 0.950000 Total energy: -1378.199603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.199603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.199603 (E_RNA) where: Base-Base interactions energy: -955.660 where: short stacking energy: -406.586 Base-Backbone interact. energy: 0.558 local terms energy: -423.097215 where: bonds (distance) C4'-P energy: -76.243 bonds (distance) P-C4' energy: -72.740 flat angles C4'-P-C4' energy: -93.919 flat angles P-C4'-P energy: -63.829 tors. eta vs tors. theta energy: -116.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1318.516994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.516994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.516994 (E_RNA) where: Base-Base interactions energy: -921.666 where: short stacking energy: -376.123 Base-Backbone interact. energy: 0.559 local terms energy: -397.410131 where: bonds (distance) C4'-P energy: -81.015 bonds (distance) P-C4' energy: -72.596 flat angles C4'-P-C4' energy: -76.593 flat angles P-C4'-P energy: -62.050 tors. eta vs tors. theta energy: -105.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1242.861212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.861212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.861212 (E_RNA) where: Base-Base interactions energy: -852.482 where: short stacking energy: -359.372 Base-Backbone interact. energy: -0.731 local terms energy: -389.648528 where: bonds (distance) C4'-P energy: -67.547 bonds (distance) P-C4' energy: -84.132 flat angles C4'-P-C4' energy: -86.455 flat angles P-C4'-P energy: -55.592 tors. eta vs tors. theta energy: -95.923 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: 8 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1147.082726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.082726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.082726 (E_RNA) where: Base-Base interactions energy: -781.287 where: short stacking energy: -323.851 Base-Backbone interact. energy: -2.367 local terms energy: -363.428660 where: bonds (distance) C4'-P energy: -58.806 bonds (distance) P-C4' energy: -69.297 flat angles C4'-P-C4' energy: -71.212 flat angles P-C4'-P energy: -63.593 tors. eta vs tors. theta energy: -100.521 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: 5 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1076.096560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.096560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.096560 (E_RNA) where: Base-Base interactions energy: -718.881 where: short stacking energy: -306.144 Base-Backbone interact. energy: -1.146 local terms energy: -356.070385 where: bonds (distance) C4'-P energy: -79.128 bonds (distance) P-C4' energy: -68.372 flat angles C4'-P-C4' energy: -74.456 flat angles P-C4'-P energy: -54.336 tors. eta vs tors. theta energy: -79.778 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: 7 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -947.026201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.026201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.026201 (E_RNA) where: Base-Base interactions energy: -594.235 where: short stacking energy: -268.437 Base-Backbone interact. energy: -2.105 local terms energy: -350.686035 where: bonds (distance) C4'-P energy: -75.258 bonds (distance) P-C4' energy: -78.372 flat angles C4'-P-C4' energy: -80.453 flat angles P-C4'-P energy: -50.080 tors. eta vs tors. theta energy: -66.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -763.335909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.335909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.335909 (E_RNA) where: Base-Base interactions energy: -490.800 where: short stacking energy: -224.454 Base-Backbone interact. energy: -0.681 local terms energy: -271.855617 where: bonds (distance) C4'-P energy: -63.596 bonds (distance) P-C4' energy: -61.801 flat angles C4'-P-C4' energy: -65.937 flat angles P-C4'-P energy: -49.479 tors. eta vs tors. theta energy: -31.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -593.827477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.827477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.827477 (E_RNA) where: Base-Base interactions energy: -345.160 where: short stacking energy: -161.480 Base-Backbone interact. energy: 1.776 local terms energy: -250.443244 where: bonds (distance) C4'-P energy: -69.113 bonds (distance) P-C4' energy: -73.065 flat angles C4'-P-C4' energy: -51.070 flat angles P-C4'-P energy: -40.055 tors. eta vs tors. theta energy: -17.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -628.883137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.883137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.883137 (E_RNA) where: Base-Base interactions energy: -369.813 where: short stacking energy: -181.828 Base-Backbone interact. energy: 0.501 local terms energy: -259.571817 where: bonds (distance) C4'-P energy: -61.138 bonds (distance) P-C4' energy: -68.565 flat angles C4'-P-C4' energy: -50.874 flat angles P-C4'-P energy: -43.671 tors. eta vs tors. theta energy: -35.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1431.262661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.262661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.262661 (E_RNA) where: Base-Base interactions energy: -980.191 where: short stacking energy: -441.886 Base-Backbone interact. energy: -0.514 local terms energy: -450.557728 where: bonds (distance) C4'-P energy: -71.410 bonds (distance) P-C4' energy: -86.034 flat angles C4'-P-C4' energy: -95.224 flat angles P-C4'-P energy: -63.137 tors. eta vs tors. theta energy: -134.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1381.335294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.335294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.335294 (E_RNA) where: Base-Base interactions energy: -964.355 where: short stacking energy: -408.797 Base-Backbone interact. energy: -1.186 local terms energy: -415.794461 where: bonds (distance) C4'-P energy: -74.790 bonds (distance) P-C4' energy: -73.884 flat angles C4'-P-C4' energy: -93.115 flat angles P-C4'-P energy: -59.948 tors. eta vs tors. theta energy: -114.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1323.899192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.899192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.899192 (E_RNA) where: Base-Base interactions energy: -923.364 where: short stacking energy: -375.389 Base-Backbone interact. energy: -1.662 local terms energy: -398.873683 where: bonds (distance) C4'-P energy: -75.347 bonds (distance) P-C4' energy: -67.093 flat angles C4'-P-C4' energy: -90.930 flat angles P-C4'-P energy: -61.765 tors. eta vs tors. theta energy: -103.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1229.053277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.053277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.053277 (E_RNA) where: Base-Base interactions energy: -835.775 where: short stacking energy: -363.139 Base-Backbone interact. energy: -1.909 local terms energy: -391.369412 where: bonds (distance) C4'-P energy: -65.340 bonds (distance) P-C4' energy: -85.762 flat angles C4'-P-C4' energy: -90.462 flat angles P-C4'-P energy: -55.605 tors. eta vs tors. theta energy: -94.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1164.344430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.344430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.344430 (E_RNA) where: Base-Base interactions energy: -805.530 where: short stacking energy: -338.353 Base-Backbone interact. energy: -2.716 local terms energy: -356.097919 where: bonds (distance) C4'-P energy: -67.855 bonds (distance) P-C4' energy: -71.388 flat angles C4'-P-C4' energy: -74.781 flat angles P-C4'-P energy: -50.397 tors. eta vs tors. theta energy: -91.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1078.545771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.545771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.545771 (E_RNA) where: Base-Base interactions energy: -730.104 where: short stacking energy: -314.977 Base-Backbone interact. energy: -1.094 local terms energy: -347.348233 where: bonds (distance) C4'-P energy: -74.818 bonds (distance) P-C4' energy: -71.659 flat angles C4'-P-C4' energy: -72.594 flat angles P-C4'-P energy: -42.728 tors. eta vs tors. theta energy: -85.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -918.056602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.056602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.056602 (E_RNA) where: Base-Base interactions energy: -616.081 where: short stacking energy: -273.218 Base-Backbone interact. energy: -0.071 local terms energy: -301.904472 where: bonds (distance) C4'-P energy: -66.307 bonds (distance) P-C4' energy: -63.618 flat angles C4'-P-C4' energy: -67.543 flat angles P-C4'-P energy: -48.193 tors. eta vs tors. theta energy: -56.244 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: 8, replica: 4 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -779.838992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.838992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.838992 (E_RNA) where: Base-Base interactions energy: -485.120 where: short stacking energy: -227.322 Base-Backbone interact. energy: -3.796 local terms energy: -290.922407 where: bonds (distance) C4'-P energy: -69.779 bonds (distance) P-C4' energy: -73.322 flat angles C4'-P-C4' energy: -77.204 flat angles P-C4'-P energy: -29.317 tors. eta vs tors. theta energy: -41.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -637.518486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.518486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.518486 (E_RNA) where: Base-Base interactions energy: -388.447 where: short stacking energy: -186.330 Base-Backbone interact. energy: -1.567 local terms energy: -247.504783 where: bonds (distance) C4'-P energy: -61.258 bonds (distance) P-C4' energy: -68.087 flat angles C4'-P-C4' energy: -66.685 flat angles P-C4'-P energy: -20.892 tors. eta vs tors. theta energy: -30.582 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: 10, replica: 1 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -597.607410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.607410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.607410 (E_RNA) where: Base-Base interactions energy: -351.847 where: short stacking energy: -177.034 Base-Backbone interact. energy: -2.946 local terms energy: -242.814940 where: bonds (distance) C4'-P energy: -66.230 bonds (distance) P-C4' energy: -61.166 flat angles C4'-P-C4' energy: -64.913 flat angles P-C4'-P energy: -28.536 tors. eta vs tors. theta energy: -21.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1429.787388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.787388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.787388 (E_RNA) where: Base-Base interactions energy: -972.736 where: short stacking energy: -420.468 Base-Backbone interact. energy: -2.057 local terms energy: -454.994453 where: bonds (distance) C4'-P energy: -76.985 bonds (distance) P-C4' energy: -86.426 flat angles C4'-P-C4' energy: -93.203 flat angles P-C4'-P energy: -61.905 tors. eta vs tors. theta energy: -136.474 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: 274 Temperature: 0.950000 Total energy: -1363.640105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.640105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.640105 (E_RNA) where: Base-Base interactions energy: -948.388 where: short stacking energy: -397.854 Base-Backbone interact. energy: 1.620 local terms energy: -416.872265 where: bonds (distance) C4'-P energy: -78.432 bonds (distance) P-C4' energy: -73.506 flat angles C4'-P-C4' energy: -89.298 flat angles P-C4'-P energy: -52.045 tors. eta vs tors. theta energy: -123.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1337.585001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.585001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.585001 (E_RNA) where: Base-Base interactions energy: -929.888 where: short stacking energy: -397.375 Base-Backbone interact. energy: -2.194 local terms energy: -405.502630 where: bonds (distance) C4'-P energy: -75.670 bonds (distance) P-C4' energy: -57.247 flat angles C4'-P-C4' energy: -92.944 flat angles P-C4'-P energy: -61.699 tors. eta vs tors. theta energy: -117.943 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: 8 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1189.686128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.686128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.686128 (E_RNA) where: Base-Base interactions energy: -802.765 where: short stacking energy: -363.404 Base-Backbone interact. energy: -1.742 local terms energy: -385.178559 where: bonds (distance) C4'-P energy: -72.784 bonds (distance) P-C4' energy: -71.521 flat angles C4'-P-C4' energy: -82.253 flat angles P-C4'-P energy: -52.538 tors. eta vs tors. theta energy: -106.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1151.964398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.964398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.964398 (E_RNA) where: Base-Base interactions energy: -803.507 where: short stacking energy: -341.699 Base-Backbone interact. energy: -1.783 local terms energy: -346.674307 where: bonds (distance) C4'-P energy: -59.978 bonds (distance) P-C4' energy: -69.708 flat angles C4'-P-C4' energy: -72.589 flat angles P-C4'-P energy: -46.058 tors. eta vs tors. theta energy: -98.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1066.212041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.212041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.212041 (E_RNA) where: Base-Base interactions energy: -718.748 where: short stacking energy: -323.116 Base-Backbone interact. energy: 0.640 local terms energy: -348.103380 where: bonds (distance) C4'-P energy: -62.933 bonds (distance) P-C4' energy: -76.765 flat angles C4'-P-C4' energy: -75.535 flat angles P-C4'-P energy: -43.444 tors. eta vs tors. theta energy: -89.426 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: 7, replica: 7 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -925.751308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.751308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.751308 (E_RNA) where: Base-Base interactions energy: -621.479 where: short stacking energy: -262.945 Base-Backbone interact. energy: -1.736 local terms energy: -302.536142 where: bonds (distance) C4'-P energy: -65.097 bonds (distance) P-C4' energy: -56.582 flat angles C4'-P-C4' energy: -65.617 flat angles P-C4'-P energy: -55.916 tors. eta vs tors. theta energy: -59.324 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: 4 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -816.398150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.398150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.398150 (E_RNA) where: Base-Base interactions energy: -517.787 where: short stacking energy: -252.694 Base-Backbone interact. energy: -1.500 local terms energy: -297.111231 where: bonds (distance) C4'-P energy: -63.332 bonds (distance) P-C4' energy: -72.195 flat angles C4'-P-C4' energy: -76.501 flat angles P-C4'-P energy: -41.974 tors. eta vs tors. theta energy: -43.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -682.913718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.913718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.913718 (E_RNA) where: Base-Base interactions energy: -413.200 where: short stacking energy: -205.557 Base-Backbone interact. energy: -0.867 local terms energy: -268.846987 where: bonds (distance) C4'-P energy: -59.773 bonds (distance) P-C4' energy: -74.561 flat angles C4'-P-C4' energy: -60.232 flat angles P-C4'-P energy: -46.806 tors. eta vs tors. theta energy: -27.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -550.745422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.745422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.745422 (E_RNA) where: Base-Base interactions energy: -323.912 where: short stacking energy: -153.446 Base-Backbone interact. energy: -0.847 local terms energy: -225.986375 where: bonds (distance) C4'-P energy: -58.436 bonds (distance) P-C4' energy: -62.819 flat angles C4'-P-C4' energy: -57.402 flat angles P-C4'-P energy: -31.321 tors. eta vs tors. theta energy: -16.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1426.949102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.949102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.949102 (E_RNA) where: Base-Base interactions energy: -971.276 where: short stacking energy: -434.767 Base-Backbone interact. energy: -1.468 local terms energy: -454.205139 where: bonds (distance) C4'-P energy: -74.807 bonds (distance) P-C4' energy: -88.704 flat angles C4'-P-C4' energy: -95.286 flat angles P-C4'-P energy: -63.521 tors. eta vs tors. theta energy: -131.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1378.166509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.166509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.166509 (E_RNA) where: Base-Base interactions energy: -958.007 where: short stacking energy: -402.044 Base-Backbone interact. energy: 1.353 local terms energy: -421.513365 where: bonds (distance) C4'-P energy: -65.139 bonds (distance) P-C4' energy: -82.317 flat angles C4'-P-C4' energy: -88.355 flat angles P-C4'-P energy: -66.836 tors. eta vs tors. theta energy: -118.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1339.980632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.980632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.980632 (E_RNA) where: Base-Base interactions energy: -940.396 where: short stacking energy: -386.212 Base-Backbone interact. energy: -1.641 local terms energy: -397.943891 where: bonds (distance) C4'-P energy: -63.228 bonds (distance) P-C4' energy: -80.932 flat angles C4'-P-C4' energy: -84.730 flat angles P-C4'-P energy: -62.306 tors. eta vs tors. theta energy: -106.747 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: 275 Temperature: 1.050000 Total energy: -1217.577378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.577378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.577378 (E_RNA) where: Base-Base interactions energy: -853.080 where: short stacking energy: -326.197 Base-Backbone interact. energy: -3.022 local terms energy: -361.474785 where: bonds (distance) C4'-P energy: -81.972 bonds (distance) P-C4' energy: -80.056 flat angles C4'-P-C4' energy: -67.896 flat angles P-C4'-P energy: -43.940 tors. eta vs tors. theta energy: -87.611 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: 8 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1152.637692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.637692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.637692 (E_RNA) where: Base-Base interactions energy: -763.802 where: short stacking energy: -320.060 Base-Backbone interact. energy: 0.599 local terms energy: -389.434800 where: bonds (distance) C4'-P energy: -71.700 bonds (distance) P-C4' energy: -81.207 flat angles C4'-P-C4' energy: -77.249 flat angles P-C4'-P energy: -63.185 tors. eta vs tors. theta energy: -96.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1053.484739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.484739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.484739 (E_RNA) where: Base-Base interactions energy: -715.036 where: short stacking energy: -340.955 Base-Backbone interact. energy: -2.112 local terms energy: -336.336832 where: bonds (distance) C4'-P energy: -46.107 bonds (distance) P-C4' energy: -74.197 flat angles C4'-P-C4' energy: -84.886 flat angles P-C4'-P energy: -48.350 tors. eta vs tors. theta energy: -82.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -929.448257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.448257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.448257 (E_RNA) where: Base-Base interactions energy: -606.185 where: short stacking energy: -278.089 Base-Backbone interact. energy: -1.984 local terms energy: -321.278646 where: bonds (distance) C4'-P energy: -66.448 bonds (distance) P-C4' energy: -68.399 flat angles C4'-P-C4' energy: -78.224 flat angles P-C4'-P energy: -52.292 tors. eta vs tors. theta energy: -55.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -735.929524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.929524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.929524 (E_RNA) where: Base-Base interactions energy: -472.794 where: short stacking energy: -227.906 Base-Backbone interact. energy: -0.062 local terms energy: -263.072974 where: bonds (distance) C4'-P energy: -62.425 bonds (distance) P-C4' energy: -61.936 flat angles C4'-P-C4' energy: -73.481 flat angles P-C4'-P energy: -38.143 tors. eta vs tors. theta energy: -27.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -792.145139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.145139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.145139 (E_RNA) where: Base-Base interactions energy: -516.925 where: short stacking energy: -242.357 Base-Backbone interact. energy: -1.519 local terms energy: -273.700559 where: bonds (distance) C4'-P energy: -45.503 bonds (distance) P-C4' energy: -61.981 flat angles C4'-P-C4' energy: -71.559 flat angles P-C4'-P energy: -39.710 tors. eta vs tors. theta energy: -54.948 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: 10, replica: 1 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -558.231188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.231188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.231188 (E_RNA) where: Base-Base interactions energy: -318.303 where: short stacking energy: -175.745 Base-Backbone interact. energy: -1.476 local terms energy: -238.451955 where: bonds (distance) C4'-P energy: -65.206 bonds (distance) P-C4' energy: -66.286 flat angles C4'-P-C4' energy: -51.023 flat angles P-C4'-P energy: -35.329 tors. eta vs tors. theta energy: -20.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1424.496524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.496524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.496524 (E_RNA) where: Base-Base interactions energy: -969.284 where: short stacking energy: -414.040 Base-Backbone interact. energy: -1.456 local terms energy: -453.756338 where: bonds (distance) C4'-P energy: -85.484 bonds (distance) P-C4' energy: -78.432 flat angles C4'-P-C4' energy: -102.151 flat angles P-C4'-P energy: -58.093 tors. eta vs tors. theta energy: -129.597 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: 10 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1397.864393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.864393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.864393 (E_RNA) where: Base-Base interactions energy: -970.851 where: short stacking energy: -413.160 Base-Backbone interact. energy: -1.149 local terms energy: -425.864696 where: bonds (distance) C4'-P energy: -75.322 bonds (distance) P-C4' energy: -70.665 flat angles C4'-P-C4' energy: -95.534 flat angles P-C4'-P energy: -65.900 tors. eta vs tors. theta energy: -118.444 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: 3 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1278.528674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.528674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.528674 (E_RNA) where: Base-Base interactions energy: -891.313 where: short stacking energy: -360.561 Base-Backbone interact. energy: 3.410 local terms energy: -390.626378 where: bonds (distance) C4'-P energy: -70.258 bonds (distance) P-C4' energy: -77.410 flat angles C4'-P-C4' energy: -87.326 flat angles P-C4'-P energy: -63.630 tors. eta vs tors. theta energy: -92.004 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: 6 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1283.127050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.127050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.127050 (E_RNA) where: Base-Base interactions energy: -906.096 where: short stacking energy: -380.546 Base-Backbone interact. energy: -0.693 local terms energy: -376.337316 where: bonds (distance) C4'-P energy: -63.494 bonds (distance) P-C4' energy: -70.645 flat angles C4'-P-C4' energy: -78.476 flat angles P-C4'-P energy: -62.205 tors. eta vs tors. theta energy: -101.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1145.724584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.724584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.724584 (E_RNA) where: Base-Base interactions energy: -766.297 where: short stacking energy: -339.933 Base-Backbone interact. energy: -3.170 local terms energy: -376.257746 where: bonds (distance) C4'-P energy: -72.569 bonds (distance) P-C4' energy: -77.733 flat angles C4'-P-C4' energy: -82.093 flat angles P-C4'-P energy: -51.464 tors. eta vs tors. theta energy: -92.398 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: 8 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1119.104341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.104341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.104341 (E_RNA) where: Base-Base interactions energy: -775.270 where: short stacking energy: -307.370 Base-Backbone interact. energy: -2.405 local terms energy: -341.429287 where: bonds (distance) C4'-P energy: -47.989 bonds (distance) P-C4' energy: -75.654 flat angles C4'-P-C4' energy: -79.165 flat angles P-C4'-P energy: -54.814 tors. eta vs tors. theta energy: -83.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -897.626850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.626850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.626850 (E_RNA) where: Base-Base interactions energy: -577.667 where: short stacking energy: -269.081 Base-Backbone interact. energy: -2.987 local terms energy: -316.972593 where: bonds (distance) C4'-P energy: -71.595 bonds (distance) P-C4' energy: -63.849 flat angles C4'-P-C4' energy: -75.251 flat angles P-C4'-P energy: -45.964 tors. eta vs tors. theta energy: -60.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -684.125260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.125260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.125260 (E_RNA) where: Base-Base interactions energy: -432.630 where: short stacking energy: -204.834 Base-Backbone interact. energy: -1.347 local terms energy: -250.147998 where: bonds (distance) C4'-P energy: -71.438 bonds (distance) P-C4' energy: -63.814 flat angles C4'-P-C4' energy: -54.785 flat angles P-C4'-P energy: -34.220 tors. eta vs tors. theta energy: -25.891 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: 9, replica: 4 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -772.086419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.086419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.086419 (E_RNA) where: Base-Base interactions energy: -494.774 where: short stacking energy: -204.643 Base-Backbone interact. energy: -0.741 local terms energy: -276.571186 where: bonds (distance) C4'-P energy: -73.170 bonds (distance) P-C4' energy: -59.213 flat angles C4'-P-C4' energy: -66.955 flat angles P-C4'-P energy: -43.983 tors. eta vs tors. theta energy: -33.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -615.303696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.303696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.303696 (E_RNA) where: Base-Base interactions energy: -364.407 where: short stacking energy: -180.274 Base-Backbone interact. energy: 2.540 local terms energy: -253.436043 where: bonds (distance) C4'-P energy: -65.030 bonds (distance) P-C4' energy: -63.190 flat angles C4'-P-C4' energy: -60.572 flat angles P-C4'-P energy: -41.482 tors. eta vs tors. theta energy: -23.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1405.383209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.383209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.383209 (E_RNA) where: Base-Base interactions energy: -965.995 where: short stacking energy: -426.805 Base-Backbone interact. energy: 1.715 local terms energy: -441.102747 where: bonds (distance) C4'-P energy: -81.200 bonds (distance) P-C4' energy: -72.550 flat angles C4'-P-C4' energy: -93.147 flat angles P-C4'-P energy: -68.806 tors. eta vs tors. theta energy: -125.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1373.684882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.684882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.684882 (E_RNA) where: Base-Base interactions energy: -954.496 where: short stacking energy: -406.271 Base-Backbone interact. energy: -1.557 local terms energy: -417.632048 where: bonds (distance) C4'-P energy: -66.929 bonds (distance) P-C4' energy: -85.378 flat angles C4'-P-C4' energy: -91.346 flat angles P-C4'-P energy: -56.579 tors. eta vs tors. theta energy: -117.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1274.110103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.110103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.110103 (E_RNA) where: Base-Base interactions energy: -895.950 where: short stacking energy: -362.358 Base-Backbone interact. energy: -0.409 local terms energy: -377.751256 where: bonds (distance) C4'-P energy: -67.651 bonds (distance) P-C4' energy: -76.175 flat angles C4'-P-C4' energy: -86.136 flat angles P-C4'-P energy: -64.563 tors. eta vs tors. theta energy: -83.227 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: 6 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1290.547451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.547451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.547451 (E_RNA) where: Base-Base interactions energy: -905.120 where: short stacking energy: -386.363 Base-Backbone interact. energy: -2.286 local terms energy: -383.141706 where: bonds (distance) C4'-P energy: -70.242 bonds (distance) P-C4' energy: -59.284 flat angles C4'-P-C4' energy: -88.048 flat angles P-C4'-P energy: -51.977 tors. eta vs tors. theta energy: -113.590 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: 5 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1139.879416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.879416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.879416 (E_RNA) where: Base-Base interactions energy: -752.784 where: short stacking energy: -337.828 Base-Backbone interact. energy: -1.849 local terms energy: -385.246498 where: bonds (distance) C4'-P energy: -75.737 bonds (distance) P-C4' energy: -75.573 flat angles C4'-P-C4' energy: -80.529 flat angles P-C4'-P energy: -58.869 tors. eta vs tors. theta energy: -94.539 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: 8 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1097.495702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.495702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.495702 (E_RNA) where: Base-Base interactions energy: -770.226 where: short stacking energy: -312.049 Base-Backbone interact. energy: -0.678 local terms energy: -326.591359 where: bonds (distance) C4'-P energy: -67.812 bonds (distance) P-C4' energy: -61.422 flat angles C4'-P-C4' energy: -69.706 flat angles P-C4'-P energy: -49.899 tors. eta vs tors. theta energy: -77.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -876.073206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.073206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.073206 (E_RNA) where: Base-Base interactions energy: -584.426 where: short stacking energy: -261.650 Base-Backbone interact. energy: -0.671 local terms energy: -290.976195 where: bonds (distance) C4'-P energy: -66.523 bonds (distance) P-C4' energy: -66.437 flat angles C4'-P-C4' energy: -56.352 flat angles P-C4'-P energy: -49.771 tors. eta vs tors. theta energy: -51.894 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: 8, replica: 4 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -803.252818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.252818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.252818 (E_RNA) where: Base-Base interactions energy: -515.705 where: short stacking energy: -245.089 Base-Backbone interact. energy: -0.226 local terms energy: -287.321826 where: bonds (distance) C4'-P energy: -68.022 bonds (distance) P-C4' energy: -58.125 flat angles C4'-P-C4' energy: -68.897 flat angles P-C4'-P energy: -41.642 tors. eta vs tors. theta energy: -50.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -631.894528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.894528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.894528 (E_RNA) where: Base-Base interactions energy: -351.310 where: short stacking energy: -181.242 Base-Backbone interact. energy: -0.931 local terms energy: -279.652863 where: bonds (distance) C4'-P energy: -72.567 bonds (distance) P-C4' energy: -68.875 flat angles C4'-P-C4' energy: -64.231 flat angles P-C4'-P energy: -37.881 tors. eta vs tors. theta energy: -36.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -577.462616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.462616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.462616 (E_RNA) where: Base-Base interactions energy: -332.169 where: short stacking energy: -151.311 Base-Backbone interact. energy: -0.832 local terms energy: -244.461717 where: bonds (distance) C4'-P energy: -70.342 bonds (distance) P-C4' energy: -59.223 flat angles C4'-P-C4' energy: -65.588 flat angles P-C4'-P energy: -25.764 tors. eta vs tors. theta energy: -23.545 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: 9 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1419.408664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.408664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.408664 (E_RNA) where: Base-Base interactions energy: -969.995 where: short stacking energy: -423.685 Base-Backbone interact. energy: 1.140 local terms energy: -450.554438 where: bonds (distance) C4'-P energy: -77.417 bonds (distance) P-C4' energy: -85.741 flat angles C4'-P-C4' energy: -91.873 flat angles P-C4'-P energy: -70.401 tors. eta vs tors. theta energy: -125.122 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: 10 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1356.578717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.578717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.578717 (E_RNA) where: Base-Base interactions energy: -936.055 where: short stacking energy: -376.476 Base-Backbone interact. energy: -2.819 local terms energy: -417.704608 where: bonds (distance) C4'-P energy: -81.019 bonds (distance) P-C4' energy: -74.705 flat angles C4'-P-C4' energy: -89.619 flat angles P-C4'-P energy: -58.879 tors. eta vs tors. theta energy: -113.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1306.294857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.294857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.294857 (E_RNA) where: Base-Base interactions energy: -919.358 where: short stacking energy: -383.510 Base-Backbone interact. energy: -0.378 local terms energy: -386.559269 where: bonds (distance) C4'-P energy: -66.123 bonds (distance) P-C4' energy: -70.149 flat angles C4'-P-C4' energy: -81.805 flat angles P-C4'-P energy: -53.185 tors. eta vs tors. theta energy: -115.298 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: 3 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1245.033223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.033223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.033223 (E_RNA) where: Base-Base interactions energy: -873.085 where: short stacking energy: -343.357 Base-Backbone interact. energy: -2.093 local terms energy: -369.854651 where: bonds (distance) C4'-P energy: -54.565 bonds (distance) P-C4' energy: -71.182 flat angles C4'-P-C4' energy: -92.061 flat angles P-C4'-P energy: -58.215 tors. eta vs tors. theta energy: -93.831 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: 5, replica: 8 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1170.446927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.446927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.446927 (E_RNA) where: Base-Base interactions energy: -798.630 where: short stacking energy: -354.030 Base-Backbone interact. energy: -1.591 local terms energy: -370.225751 where: bonds (distance) C4'-P energy: -73.899 bonds (distance) P-C4' energy: -69.342 flat angles C4'-P-C4' energy: -82.973 flat angles P-C4'-P energy: -48.304 tors. eta vs tors. theta energy: -95.709 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: 5 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1084.616429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.616429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.616429 (E_RNA) where: Base-Base interactions energy: -743.735 where: short stacking energy: -308.965 Base-Backbone interact. energy: 0.833 local terms energy: -341.714662 where: bonds (distance) C4'-P energy: -75.881 bonds (distance) P-C4' energy: -61.468 flat angles C4'-P-C4' energy: -72.849 flat angles P-C4'-P energy: -42.851 tors. eta vs tors. theta energy: -88.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -934.112624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.112624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.112624 (E_RNA) where: Base-Base interactions energy: -612.329 where: short stacking energy: -274.103 Base-Backbone interact. energy: -0.862 local terms energy: -320.922123 where: bonds (distance) C4'-P energy: -57.365 bonds (distance) P-C4' energy: -61.223 flat angles C4'-P-C4' energy: -85.547 flat angles P-C4'-P energy: -52.912 tors. eta vs tors. theta energy: -63.877 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: 4 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -868.228010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.228010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.228010 (E_RNA) where: Base-Base interactions energy: -561.782 where: short stacking energy: -255.555 Base-Backbone interact. energy: -1.026 local terms energy: -305.420131 where: bonds (distance) C4'-P energy: -57.895 bonds (distance) P-C4' energy: -76.864 flat angles C4'-P-C4' energy: -65.191 flat angles P-C4'-P energy: -46.581 tors. eta vs tors. theta energy: -58.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -583.334838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.334838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.334838 (E_RNA) where: Base-Base interactions energy: -330.099 where: short stacking energy: -167.096 Base-Backbone interact. energy: 0.497 local terms energy: -253.732277 where: bonds (distance) C4'-P energy: -74.534 bonds (distance) P-C4' energy: -70.571 flat angles C4'-P-C4' energy: -62.325 flat angles P-C4'-P energy: -34.729 tors. eta vs tors. theta energy: -11.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -559.790265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.790265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.790265 (E_RNA) where: Base-Base interactions energy: -299.501 where: short stacking energy: -139.734 Base-Backbone interact. energy: 0.578 local terms energy: -260.867653 where: bonds (distance) C4'-P energy: -62.269 bonds (distance) P-C4' energy: -73.255 flat angles C4'-P-C4' energy: -65.704 flat angles P-C4'-P energy: -38.850 tors. eta vs tors. theta energy: -20.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1401.793126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.793126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.793126 (E_RNA) where: Base-Base interactions energy: -970.176 where: short stacking energy: -433.399 Base-Backbone interact. energy: -0.953 local terms energy: -430.663315 where: bonds (distance) C4'-P energy: -79.056 bonds (distance) P-C4' energy: -76.537 flat angles C4'-P-C4' energy: -93.400 flat angles P-C4'-P energy: -61.918 tors. eta vs tors. theta energy: -119.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1376.209320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.209320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.209320 (E_RNA) where: Base-Base interactions energy: -956.596 where: short stacking energy: -422.074 Base-Backbone interact. energy: -1.232 local terms energy: -418.380906 where: bonds (distance) C4'-P energy: -69.345 bonds (distance) P-C4' energy: -86.644 flat angles C4'-P-C4' energy: -86.058 flat angles P-C4'-P energy: -57.482 tors. eta vs tors. theta energy: -118.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1322.597445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.597445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.597445 (E_RNA) where: Base-Base interactions energy: -911.073 where: short stacking energy: -366.391 Base-Backbone interact. energy: -1.393 local terms energy: -410.130984 where: bonds (distance) C4'-P energy: -76.164 bonds (distance) P-C4' energy: -78.959 flat angles C4'-P-C4' energy: -86.543 flat angles P-C4'-P energy: -64.996 tors. eta vs tors. theta energy: -103.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1216.049015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.049015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.049015 (E_RNA) where: Base-Base interactions energy: -839.779 where: short stacking energy: -383.945 Base-Backbone interact. energy: -2.791 local terms energy: -373.479574 where: bonds (distance) C4'-P energy: -70.425 bonds (distance) P-C4' energy: -61.531 flat angles C4'-P-C4' energy: -88.514 flat angles P-C4'-P energy: -56.780 tors. eta vs tors. theta energy: -96.229 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: 8 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1194.844653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.844653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.844653 (E_RNA) where: Base-Base interactions energy: -820.956 where: short stacking energy: -345.186 Base-Backbone interact. energy: -2.641 local terms energy: -371.247479 where: bonds (distance) C4'-P energy: -75.142 bonds (distance) P-C4' energy: -67.028 flat angles C4'-P-C4' energy: -76.073 flat angles P-C4'-P energy: -53.516 tors. eta vs tors. theta energy: -99.489 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: 6, replica: 5 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1072.750125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.750125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.750125 (E_RNA) where: Base-Base interactions energy: -724.168 where: short stacking energy: -318.657 Base-Backbone interact. energy: 1.169 local terms energy: -349.750967 where: bonds (distance) C4'-P energy: -72.011 bonds (distance) P-C4' energy: -69.025 flat angles C4'-P-C4' energy: -81.278 flat angles P-C4'-P energy: -37.429 tors. eta vs tors. theta energy: -90.009 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: 7 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -901.808772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.808772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.808772 (E_RNA) where: Base-Base interactions energy: -588.923 where: short stacking energy: -275.852 Base-Backbone interact. energy: -1.176 local terms energy: -311.709976 where: bonds (distance) C4'-P energy: -62.483 bonds (distance) P-C4' energy: -76.168 flat angles C4'-P-C4' energy: -85.441 flat angles P-C4'-P energy: -22.816 tors. eta vs tors. theta energy: -64.801 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: 4 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -883.817872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.817872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.817872 (E_RNA) where: Base-Base interactions energy: -586.547 where: short stacking energy: -257.140 Base-Backbone interact. energy: -0.666 local terms energy: -296.604978 where: bonds (distance) C4'-P energy: -69.202 bonds (distance) P-C4' energy: -61.972 flat angles C4'-P-C4' energy: -70.199 flat angles P-C4'-P energy: -36.202 tors. eta vs tors. theta energy: -59.030 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: 2 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -602.392873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.392873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.392873 (E_RNA) where: Base-Base interactions energy: -345.450 where: short stacking energy: -173.501 Base-Backbone interact. energy: 0.590 local terms energy: -257.532634 where: bonds (distance) C4'-P energy: -63.454 bonds (distance) P-C4' energy: -70.313 flat angles C4'-P-C4' energy: -77.802 flat angles P-C4'-P energy: -27.215 tors. eta vs tors. theta energy: -18.748 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: 279 Temperature: 1.350000 Total energy: -542.895176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.895176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.895176 (E_RNA) where: Base-Base interactions energy: -323.641 where: short stacking energy: -172.037 Base-Backbone interact. energy: 1.909 local terms energy: -221.163659 where: bonds (distance) C4'-P energy: -53.004 bonds (distance) P-C4' energy: -60.343 flat angles C4'-P-C4' energy: -60.385 flat angles P-C4'-P energy: -38.419 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: 1, replica: 10 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1416.362474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.362474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.362474 (E_RNA) where: Base-Base interactions energy: -975.814 where: short stacking energy: -401.043 Base-Backbone interact. energy: -1.753 local terms energy: -438.795840 where: bonds (distance) C4'-P energy: -82.115 bonds (distance) P-C4' energy: -77.980 flat angles C4'-P-C4' energy: -98.160 flat angles P-C4'-P energy: -64.427 tors. eta vs tors. theta energy: -116.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1392.744754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.744754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.744754 (E_RNA) where: Base-Base interactions energy: -972.992 where: short stacking energy: -428.995 Base-Backbone interact. energy: -1.591 local terms energy: -418.161625 where: bonds (distance) C4'-P energy: -71.621 bonds (distance) P-C4' energy: -77.500 flat angles C4'-P-C4' energy: -82.122 flat angles P-C4'-P energy: -57.019 tors. eta vs tors. theta energy: -129.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1328.898222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.898222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.898222 (E_RNA) where: Base-Base interactions energy: -911.614 where: short stacking energy: -391.625 Base-Backbone interact. energy: -3.969 local terms energy: -413.315919 where: bonds (distance) C4'-P energy: -79.662 bonds (distance) P-C4' energy: -79.748 flat angles C4'-P-C4' energy: -87.611 flat angles P-C4'-P energy: -56.228 tors. eta vs tors. theta energy: -110.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1234.305980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.305980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.305980 (E_RNA) where: Base-Base interactions energy: -843.112 where: short stacking energy: -369.981 Base-Backbone interact. energy: -1.885 local terms energy: -389.309195 where: bonds (distance) C4'-P energy: -73.976 bonds (distance) P-C4' energy: -74.608 flat angles C4'-P-C4' energy: -79.787 flat angles P-C4'-P energy: -63.231 tors. eta vs tors. theta energy: -97.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1176.371979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.371979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.371979 (E_RNA) where: Base-Base interactions energy: -817.518 where: short stacking energy: -351.348 Base-Backbone interact. energy: -5.738 local terms energy: -353.116058 where: bonds (distance) C4'-P energy: -65.656 bonds (distance) P-C4' energy: -71.312 flat angles C4'-P-C4' energy: -85.547 flat angles P-C4'-P energy: -42.354 tors. eta vs tors. theta energy: -88.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1034.300589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.300589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.300589 (E_RNA) where: Base-Base interactions energy: -696.234 where: short stacking energy: -293.964 Base-Backbone interact. energy: 0.219 local terms energy: -338.286053 where: bonds (distance) C4'-P energy: -64.071 bonds (distance) P-C4' energy: -70.926 flat angles C4'-P-C4' energy: -73.679 flat angles P-C4'-P energy: -55.303 tors. eta vs tors. theta energy: -74.307 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: 7 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -888.324459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.324459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.324459 (E_RNA) where: Base-Base interactions energy: -587.385 where: short stacking energy: -265.552 Base-Backbone interact. energy: 3.393 local terms energy: -304.332499 where: bonds (distance) C4'-P energy: -64.284 bonds (distance) P-C4' energy: -73.253 flat angles C4'-P-C4' energy: -67.857 flat angles P-C4'-P energy: -45.033 tors. eta vs tors. theta energy: -53.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -925.892379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.892379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.892379 (E_RNA) where: Base-Base interactions energy: -611.375 where: short stacking energy: -281.766 Base-Backbone interact. energy: 0.214 local terms energy: -314.731284 where: bonds (distance) C4'-P energy: -62.323 bonds (distance) P-C4' energy: -73.172 flat angles C4'-P-C4' energy: -72.434 flat angles P-C4'-P energy: -45.804 tors. eta vs tors. theta energy: -60.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -602.241394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.241394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.241394 (E_RNA) where: Base-Base interactions energy: -348.294 where: short stacking energy: -188.916 Base-Backbone interact. energy: 6.063 local terms energy: -260.010207 where: bonds (distance) C4'-P energy: -65.179 bonds (distance) P-C4' energy: -74.417 flat angles C4'-P-C4' energy: -63.714 flat angles P-C4'-P energy: -35.875 tors. eta vs tors. theta energy: -20.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -577.179810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.179810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.179810 (E_RNA) where: Base-Base interactions energy: -351.767 where: short stacking energy: -177.127 Base-Backbone interact. energy: 0.805 local terms energy: -226.217903 where: bonds (distance) C4'-P energy: -58.110 bonds (distance) P-C4' energy: -62.990 flat angles C4'-P-C4' energy: -56.262 flat angles P-C4'-P energy: -39.299 tors. eta vs tors. theta energy: -9.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1416.183179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.183179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.183179 (E_RNA) where: Base-Base interactions energy: -984.998 where: short stacking energy: -402.668 Base-Backbone interact. energy: 1.854 local terms energy: -433.039365 where: bonds (distance) C4'-P energy: -80.869 bonds (distance) P-C4' energy: -79.475 flat angles C4'-P-C4' energy: -85.611 flat angles P-C4'-P energy: -67.757 tors. eta vs tors. theta energy: -119.327 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: 9 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1402.117184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.117184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.117184 (E_RNA) where: Base-Base interactions energy: -965.254 where: short stacking energy: -412.950 Base-Backbone interact. energy: 2.077 local terms energy: -438.940369 where: bonds (distance) C4'-P energy: -65.063 bonds (distance) P-C4' energy: -81.255 flat angles C4'-P-C4' energy: -95.520 flat angles P-C4'-P energy: -65.688 tors. eta vs tors. theta energy: -131.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1340.068504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.068504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.068504 (E_RNA) where: Base-Base interactions energy: -938.191 where: short stacking energy: -395.991 Base-Backbone interact. energy: -1.350 local terms energy: -400.527371 where: bonds (distance) C4'-P energy: -77.905 bonds (distance) P-C4' energy: -70.381 flat angles C4'-P-C4' energy: -87.279 flat angles P-C4'-P energy: -55.313 tors. eta vs tors. theta energy: -109.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1200.553578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.553578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.553578 (E_RNA) where: Base-Base interactions energy: -832.321 where: short stacking energy: -355.768 Base-Backbone interact. energy: -1.925 local terms energy: -366.307469 where: bonds (distance) C4'-P energy: -71.233 bonds (distance) P-C4' energy: -55.201 flat angles C4'-P-C4' energy: -81.296 flat angles P-C4'-P energy: -55.776 tors. eta vs tors. theta energy: -102.802 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: 5, replica: 8 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1123.163891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.163891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.163891 (E_RNA) where: Base-Base interactions energy: -757.435 where: short stacking energy: -329.863 Base-Backbone interact. energy: -2.403 local terms energy: -363.325535 where: bonds (distance) C4'-P energy: -76.952 bonds (distance) P-C4' energy: -69.390 flat angles C4'-P-C4' energy: -80.902 flat angles P-C4'-P energy: -46.057 tors. eta vs tors. theta energy: -90.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1065.495609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.495609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.495609 (E_RNA) where: Base-Base interactions energy: -705.278 where: short stacking energy: -325.169 Base-Backbone interact. energy: -1.089 local terms energy: -359.128459 where: bonds (distance) C4'-P energy: -68.852 bonds (distance) P-C4' energy: -61.053 flat angles C4'-P-C4' energy: -72.589 flat angles P-C4'-P energy: -53.561 tors. eta vs tors. theta energy: -103.074 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: 7 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -866.369243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.369243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.369243 (E_RNA) where: Base-Base interactions energy: -549.954 where: short stacking energy: -238.394 Base-Backbone interact. energy: 2.638 local terms energy: -319.052984 where: bonds (distance) C4'-P energy: -64.465 bonds (distance) P-C4' energy: -71.261 flat angles C4'-P-C4' energy: -61.555 flat angles P-C4'-P energy: -59.111 tors. eta vs tors. theta energy: -62.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -903.657707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.657707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.657707 (E_RNA) where: Base-Base interactions energy: -584.756 where: short stacking energy: -279.784 Base-Backbone interact. energy: -1.028 local terms energy: -317.873237 where: bonds (distance) C4'-P energy: -71.089 bonds (distance) P-C4' energy: -71.290 flat angles C4'-P-C4' energy: -59.019 flat angles P-C4'-P energy: -44.898 tors. eta vs tors. theta energy: -71.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -586.575272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.575272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.575272 (E_RNA) where: Base-Base interactions energy: -328.752 where: short stacking energy: -156.051 Base-Backbone interact. energy: 0.717 local terms energy: -258.541062 where: bonds (distance) C4'-P energy: -63.332 bonds (distance) P-C4' energy: -76.469 flat angles C4'-P-C4' energy: -67.383 flat angles P-C4'-P energy: -39.445 tors. eta vs tors. theta energy: -11.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -538.067826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.067826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.067826 (E_RNA) where: Base-Base interactions energy: -330.273 where: short stacking energy: -166.321 Base-Backbone interact. energy: 1.177 local terms energy: -208.971973 where: bonds (distance) C4'-P energy: -48.445 bonds (distance) P-C4' energy: -47.354 flat angles C4'-P-C4' energy: -62.860 flat angles P-C4'-P energy: -41.783 tors. eta vs tors. theta energy: -8.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1403.014323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.014323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.014323 (E_RNA) where: Base-Base interactions energy: -975.060 where: short stacking energy: -417.037 Base-Backbone interact. energy: -2.581 local terms energy: -425.373622 where: bonds (distance) C4'-P energy: -70.825 bonds (distance) P-C4' energy: -77.975 flat angles C4'-P-C4' energy: -91.663 flat angles P-C4'-P energy: -64.849 tors. eta vs tors. theta energy: -120.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1398.242269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.242269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.242269 (E_RNA) where: Base-Base interactions energy: -960.763 where: short stacking energy: -421.182 Base-Backbone interact. energy: -1.083 local terms energy: -436.395989 where: bonds (distance) C4'-P energy: -72.380 bonds (distance) P-C4' energy: -79.872 flat angles C4'-P-C4' energy: -89.680 flat angles P-C4'-P energy: -64.047 tors. eta vs tors. theta energy: -130.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1344.709823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.709823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.709823 (E_RNA) where: Base-Base interactions energy: -927.013 where: short stacking energy: -396.005 Base-Backbone interact. energy: -1.591 local terms energy: -416.105402 where: bonds (distance) C4'-P energy: -78.380 bonds (distance) P-C4' energy: -83.021 flat angles C4'-P-C4' energy: -85.556 flat angles P-C4'-P energy: -49.297 tors. eta vs tors. theta energy: -119.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1219.891674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.891674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.891674 (E_RNA) where: Base-Base interactions energy: -846.738 where: short stacking energy: -373.932 Base-Backbone interact. energy: -0.820 local terms energy: -372.334027 where: bonds (distance) C4'-P energy: -62.708 bonds (distance) P-C4' energy: -71.055 flat angles C4'-P-C4' energy: -87.724 flat angles P-C4'-P energy: -45.830 tors. eta vs tors. theta energy: -105.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1188.858732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.858732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.858732 (E_RNA) where: Base-Base interactions energy: -848.507 where: short stacking energy: -348.901 Base-Backbone interact. energy: 1.608 local terms energy: -341.960071 where: bonds (distance) C4'-P energy: -69.335 bonds (distance) P-C4' energy: -64.073 flat angles C4'-P-C4' energy: -68.590 flat angles P-C4'-P energy: -38.293 tors. eta vs tors. theta energy: -101.670 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: 5 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1050.636567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.636567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.636567 (E_RNA) where: Base-Base interactions energy: -709.913 where: short stacking energy: -309.367 Base-Backbone interact. energy: -1.806 local terms energy: -338.917734 where: bonds (distance) C4'-P energy: -58.289 bonds (distance) P-C4' energy: -69.724 flat angles C4'-P-C4' energy: -83.467 flat angles P-C4'-P energy: -42.432 tors. eta vs tors. theta energy: -85.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -924.400071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.400071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.400071 (E_RNA) where: Base-Base interactions energy: -606.812 where: short stacking energy: -263.698 Base-Backbone interact. energy: -1.289 local terms energy: -316.299135 where: bonds (distance) C4'-P energy: -67.341 bonds (distance) P-C4' energy: -71.156 flat angles C4'-P-C4' energy: -76.497 flat angles P-C4'-P energy: -48.847 tors. eta vs tors. theta energy: -52.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -828.745328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.745328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.745328 (E_RNA) where: Base-Base interactions energy: -542.184 where: short stacking energy: -224.089 Base-Backbone interact. energy: 2.802 local terms energy: -289.362933 where: bonds (distance) C4'-P energy: -68.616 bonds (distance) P-C4' energy: -60.364 flat angles C4'-P-C4' energy: -60.853 flat angles P-C4'-P energy: -41.443 tors. eta vs tors. theta energy: -58.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -607.125716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.125716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.125716 (E_RNA) where: Base-Base interactions energy: -372.232 where: short stacking energy: -162.641 Base-Backbone interact. energy: -1.056 local terms energy: -233.837255 where: bonds (distance) C4'-P energy: -58.089 bonds (distance) P-C4' energy: -73.535 flat angles C4'-P-C4' energy: -57.426 flat angles P-C4'-P energy: -30.836 tors. eta vs tors. theta energy: -13.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -538.359110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.359110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.359110 (E_RNA) where: Base-Base interactions energy: -291.817 where: short stacking energy: -162.902 Base-Backbone interact. energy: -1.181 local terms energy: -245.361317 where: bonds (distance) C4'-P energy: -66.808 bonds (distance) P-C4' energy: -67.419 flat angles C4'-P-C4' energy: -63.797 flat angles P-C4'-P energy: -33.202 tors. eta vs tors. theta energy: -14.135 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: 283 Temperature: 0.900000 Total energy: -1391.122617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.122617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.122617 (E_RNA) where: Base-Base interactions energy: -960.600 where: short stacking energy: -402.182 Base-Backbone interact. energy: -0.652 local terms energy: -429.870174 where: bonds (distance) C4'-P energy: -74.638 bonds (distance) P-C4' energy: -88.466 flat angles C4'-P-C4' energy: -84.966 flat angles P-C4'-P energy: -59.986 tors. eta vs tors. theta energy: -121.813 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: 9 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1411.247336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.247336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.247336 (E_RNA) where: Base-Base interactions energy: -961.867 where: short stacking energy: -428.458 Base-Backbone interact. energy: -0.200 local terms energy: -449.180743 where: bonds (distance) C4'-P energy: -86.404 bonds (distance) P-C4' energy: -82.085 flat angles C4'-P-C4' energy: -96.496 flat angles P-C4'-P energy: -52.714 tors. eta vs tors. theta energy: -131.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1329.859392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.859392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.859392 (E_RNA) where: Base-Base interactions energy: -926.735 where: short stacking energy: -386.945 Base-Backbone interact. energy: -3.445 local terms energy: -399.680356 where: bonds (distance) C4'-P energy: -58.223 bonds (distance) P-C4' energy: -77.660 flat angles C4'-P-C4' energy: -85.685 flat angles P-C4'-P energy: -58.164 tors. eta vs tors. theta energy: -119.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1249.410660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.410660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.410660 (E_RNA) where: Base-Base interactions energy: -852.011 where: short stacking energy: -353.460 Base-Backbone interact. energy: -1.234 local terms energy: -396.165619 where: bonds (distance) C4'-P energy: -70.006 bonds (distance) P-C4' energy: -71.559 flat angles C4'-P-C4' energy: -91.572 flat angles P-C4'-P energy: -58.245 tors. eta vs tors. theta energy: -104.783 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: 3 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1144.767044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.767044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.767044 (E_RNA) where: Base-Base interactions energy: -767.437 where: short stacking energy: -319.656 Base-Backbone interact. energy: -0.172 local terms energy: -377.158006 where: bonds (distance) C4'-P energy: -77.581 bonds (distance) P-C4' energy: -75.747 flat angles C4'-P-C4' energy: -75.596 flat angles P-C4'-P energy: -57.890 tors. eta vs tors. theta energy: -90.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1069.319426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.319426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.319426 (E_RNA) where: Base-Base interactions energy: -736.273 where: short stacking energy: -319.050 Base-Backbone interact. energy: -0.153 local terms energy: -332.892911 where: bonds (distance) C4'-P energy: -64.589 bonds (distance) P-C4' energy: -61.094 flat angles C4'-P-C4' energy: -67.702 flat angles P-C4'-P energy: -59.984 tors. eta vs tors. theta energy: -79.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -895.749328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.749328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.749328 (E_RNA) where: Base-Base interactions energy: -572.701 where: short stacking energy: -265.630 Base-Backbone interact. energy: -0.811 local terms energy: -322.237008 where: bonds (distance) C4'-P energy: -74.634 bonds (distance) P-C4' energy: -85.906 flat angles C4'-P-C4' energy: -71.958 flat angles P-C4'-P energy: -45.112 tors. eta vs tors. theta energy: -44.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -782.895788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.895788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.895788 (E_RNA) where: Base-Base interactions energy: -490.814 where: short stacking energy: -226.634 Base-Backbone interact. energy: -2.150 local terms energy: -289.932262 where: bonds (distance) C4'-P energy: -59.422 bonds (distance) P-C4' energy: -73.690 flat angles C4'-P-C4' energy: -71.659 flat angles P-C4'-P energy: -35.752 tors. eta vs tors. theta energy: -49.409 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: 2 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -625.804085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.804085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.804085 (E_RNA) where: Base-Base interactions energy: -373.864 where: short stacking energy: -169.296 Base-Backbone interact. energy: -1.137 local terms energy: -250.802341 where: bonds (distance) C4'-P energy: -69.582 bonds (distance) P-C4' energy: -61.518 flat angles C4'-P-C4' energy: -62.840 flat angles P-C4'-P energy: -39.058 tors. eta vs tors. theta energy: -17.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -558.887599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.887599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.887599 (E_RNA) where: Base-Base interactions energy: -340.347 where: short stacking energy: -166.666 Base-Backbone interact. energy: -1.503 local terms energy: -217.037584 where: bonds (distance) C4'-P energy: -60.566 bonds (distance) P-C4' energy: -61.076 flat angles C4'-P-C4' energy: -63.957 flat angles P-C4'-P energy: -27.014 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: 1, replica: 9 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1410.271346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.271346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.271346 (E_RNA) where: Base-Base interactions energy: -972.131 where: short stacking energy: -423.998 Base-Backbone interact. energy: -1.787 local terms energy: -436.352917 where: bonds (distance) C4'-P energy: -77.676 bonds (distance) P-C4' energy: -82.129 flat angles C4'-P-C4' energy: -87.392 flat angles P-C4'-P energy: -66.031 tors. eta vs tors. theta energy: -123.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1365.951052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.951052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.951052 (E_RNA) where: Base-Base interactions energy: -937.572 where: short stacking energy: -402.300 Base-Backbone interact. energy: -0.061 local terms energy: -428.317751 where: bonds (distance) C4'-P energy: -82.773 bonds (distance) P-C4' energy: -76.419 flat angles C4'-P-C4' energy: -91.605 flat angles P-C4'-P energy: -61.748 tors. eta vs tors. theta energy: -115.773 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: 6 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1346.064133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.064133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.064133 (E_RNA) where: Base-Base interactions energy: -920.696 where: short stacking energy: -396.863 Base-Backbone interact. energy: -0.877 local terms energy: -424.491152 where: bonds (distance) C4'-P energy: -73.186 bonds (distance) P-C4' energy: -84.671 flat angles C4'-P-C4' energy: -92.686 flat angles P-C4'-P energy: -59.599 tors. eta vs tors. theta energy: -114.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1243.898697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.898697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.898697 (E_RNA) where: Base-Base interactions energy: -888.483 where: short stacking energy: -353.634 Base-Backbone interact. energy: -1.382 local terms energy: -354.034035 where: bonds (distance) C4'-P energy: -60.368 bonds (distance) P-C4' energy: -71.738 flat angles C4'-P-C4' energy: -75.332 flat angles P-C4'-P energy: -59.217 tors. eta vs tors. theta energy: -87.379 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: 3 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1130.595462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.595462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.595462 (E_RNA) where: Base-Base interactions energy: -793.322 where: short stacking energy: -335.826 Base-Backbone interact. energy: -1.130 local terms energy: -336.143813 where: bonds (distance) C4'-P energy: -66.578 bonds (distance) P-C4' energy: -75.336 flat angles C4'-P-C4' energy: -79.503 flat angles P-C4'-P energy: -32.922 tors. eta vs tors. theta energy: -81.804 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: 6, replica: 5 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1062.033506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.033506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.033506 (E_RNA) where: Base-Base interactions energy: -716.218 where: short stacking energy: -315.621 Base-Backbone interact. energy: -2.276 local terms energy: -343.539418 where: bonds (distance) C4'-P energy: -66.149 bonds (distance) P-C4' energy: -67.326 flat angles C4'-P-C4' energy: -79.990 flat angles P-C4'-P energy: -51.740 tors. eta vs tors. theta energy: -78.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -893.437431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.437431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.437431 (E_RNA) where: Base-Base interactions energy: -583.910 where: short stacking energy: -253.322 Base-Backbone interact. energy: -1.316 local terms energy: -308.211302 where: bonds (distance) C4'-P energy: -72.172 bonds (distance) P-C4' energy: -67.456 flat angles C4'-P-C4' energy: -68.095 flat angles P-C4'-P energy: -40.976 tors. eta vs tors. theta energy: -59.512 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: 8, replica: 7 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -797.221431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.221431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.221431 (E_RNA) where: Base-Base interactions energy: -505.100 where: short stacking energy: -220.210 Base-Backbone interact. energy: 1.597 local terms energy: -293.719265 where: bonds (distance) C4'-P energy: -67.793 bonds (distance) P-C4' energy: -65.325 flat angles C4'-P-C4' energy: -74.996 flat angles P-C4'-P energy: -49.592 tors. eta vs tors. theta energy: -36.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -655.636688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.636688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.636688 (E_RNA) where: Base-Base interactions energy: -395.901 where: short stacking energy: -191.520 Base-Backbone interact. energy: -0.125 local terms energy: -259.610916 where: bonds (distance) C4'-P energy: -54.419 bonds (distance) P-C4' energy: -74.411 flat angles C4'-P-C4' energy: -56.093 flat angles P-C4'-P energy: -46.856 tors. eta vs tors. theta energy: -27.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -556.517547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.517547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.517547 (E_RNA) where: Base-Base interactions energy: -345.247 where: short stacking energy: -175.206 Base-Backbone interact. energy: -1.247 local terms energy: -210.023778 where: bonds (distance) C4'-P energy: -55.215 bonds (distance) P-C4' energy: -61.654 flat angles C4'-P-C4' energy: -56.520 flat angles P-C4'-P energy: -34.255 tors. eta vs tors. theta energy: -2.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1421.724362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.724362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.724362 (E_RNA) where: Base-Base interactions energy: -980.430 where: short stacking energy: -432.240 Base-Backbone interact. energy: -2.118 local terms energy: -439.176814 where: bonds (distance) C4'-P energy: -73.866 bonds (distance) P-C4' energy: -79.885 flat angles C4'-P-C4' energy: -88.673 flat angles P-C4'-P energy: -64.660 tors. eta vs tors. theta energy: -132.091 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: 10 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1374.134360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.134360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.134360 (E_RNA) where: Base-Base interactions energy: -942.591 where: short stacking energy: -400.653 Base-Backbone interact. energy: -1.002 local terms energy: -430.541573 where: bonds (distance) C4'-P energy: -79.723 bonds (distance) P-C4' energy: -79.628 flat angles C4'-P-C4' energy: -88.680 flat angles P-C4'-P energy: -62.596 tors. eta vs tors. theta energy: -119.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1338.074052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.074052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.074052 (E_RNA) where: Base-Base interactions energy: -943.902 where: short stacking energy: -403.919 Base-Backbone interact. energy: -1.418 local terms energy: -392.753613 where: bonds (distance) C4'-P energy: -67.216 bonds (distance) P-C4' energy: -78.839 flat angles C4'-P-C4' energy: -86.396 flat angles P-C4'-P energy: -55.564 tors. eta vs tors. theta energy: -104.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1273.914661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.914661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.914661 (E_RNA) where: Base-Base interactions energy: -883.069 where: short stacking energy: -351.711 Base-Backbone interact. energy: 0.458 local terms energy: -391.303739 where: bonds (distance) C4'-P energy: -76.452 bonds (distance) P-C4' energy: -74.750 flat angles C4'-P-C4' energy: -81.323 flat angles P-C4'-P energy: -54.331 tors. eta vs tors. theta energy: -104.448 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: 5, replica: 3 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1205.683025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.683025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.683025 (E_RNA) where: Base-Base interactions energy: -843.216 where: short stacking energy: -361.172 Base-Backbone interact. energy: -4.085 local terms energy: -358.381535 where: bonds (distance) C4'-P energy: -67.945 bonds (distance) P-C4' energy: -77.370 flat angles C4'-P-C4' energy: -67.217 flat angles P-C4'-P energy: -54.091 tors. eta vs tors. theta energy: -91.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1079.489588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.489588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.489588 (E_RNA) where: Base-Base interactions energy: -715.338 where: short stacking energy: -320.714 Base-Backbone interact. energy: -0.596 local terms energy: -363.555029 where: bonds (distance) C4'-P energy: -73.755 bonds (distance) P-C4' energy: -61.797 flat angles C4'-P-C4' energy: -82.382 flat angles P-C4'-P energy: -59.649 tors. eta vs tors. theta energy: -85.972 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: 4 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -903.797588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.797588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.797588 (E_RNA) where: Base-Base interactions energy: -576.830 where: short stacking energy: -266.628 Base-Backbone interact. energy: 0.305 local terms energy: -327.272407 where: bonds (distance) C4'-P energy: -72.372 bonds (distance) P-C4' energy: -73.563 flat angles C4'-P-C4' energy: -68.206 flat angles P-C4'-P energy: -46.608 tors. eta vs tors. theta energy: -66.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -875.944399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.944399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.944399 (E_RNA) where: Base-Base interactions energy: -551.747 where: short stacking energy: -236.953 Base-Backbone interact. energy: 0.199 local terms energy: -324.396167 where: bonds (distance) C4'-P energy: -74.573 bonds (distance) P-C4' energy: -73.479 flat angles C4'-P-C4' energy: -59.948 flat angles P-C4'-P energy: -50.937 tors. eta vs tors. theta energy: -65.460 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: 285 Temperature: 1.300000 Total energy: -681.483463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.483463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.483463 (E_RNA) where: Base-Base interactions energy: -427.916 where: short stacking energy: -202.568 Base-Backbone interact. energy: -0.812 local terms energy: -252.754755 where: bonds (distance) C4'-P energy: -63.184 bonds (distance) P-C4' energy: -71.090 flat angles C4'-P-C4' energy: -61.401 flat angles P-C4'-P energy: -25.310 tors. eta vs tors. theta energy: -31.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -560.246913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.246913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.246913 (E_RNA) where: Base-Base interactions energy: -347.409 where: short stacking energy: -196.833 Base-Backbone interact. energy: -1.390 local terms energy: -211.447717 where: bonds (distance) C4'-P energy: -48.826 bonds (distance) P-C4' energy: -52.680 flat angles C4'-P-C4' energy: -58.915 flat angles P-C4'-P energy: -27.761 tors. eta vs tors. theta energy: -23.266 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: 9 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1425.932651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.932651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.932651 (E_RNA) where: Base-Base interactions energy: -982.620 where: short stacking energy: -421.604 Base-Backbone interact. energy: -1.163 local terms energy: -442.149727 where: bonds (distance) C4'-P energy: -78.870 bonds (distance) P-C4' energy: -80.993 flat angles C4'-P-C4' energy: -89.434 flat angles P-C4'-P energy: -59.049 tors. eta vs tors. theta energy: -133.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1350.199005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.199005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.199005 (E_RNA) where: Base-Base interactions energy: -926.699 where: short stacking energy: -396.233 Base-Backbone interact. energy: -2.919 local terms energy: -420.580549 where: bonds (distance) C4'-P energy: -81.147 bonds (distance) P-C4' energy: -86.898 flat angles C4'-P-C4' energy: -85.570 flat angles P-C4'-P energy: -55.647 tors. eta vs tors. theta energy: -111.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1346.103787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.103787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.103787 (E_RNA) where: Base-Base interactions energy: -928.504 where: short stacking energy: -401.351 Base-Backbone interact. energy: -1.804 local terms energy: -415.794916 where: bonds (distance) C4'-P energy: -79.834 bonds (distance) P-C4' energy: -82.066 flat angles C4'-P-C4' energy: -83.489 flat angles P-C4'-P energy: -61.128 tors. eta vs tors. theta energy: -109.278 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: 8 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1235.189376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.189376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.189376 (E_RNA) where: Base-Base interactions energy: -851.877 where: short stacking energy: -356.446 Base-Backbone interact. energy: -0.865 local terms energy: -382.447682 where: bonds (distance) C4'-P energy: -77.874 bonds (distance) P-C4' energy: -78.893 flat angles C4'-P-C4' energy: -81.853 flat angles P-C4'-P energy: -45.308 tors. eta vs tors. theta energy: -98.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1171.099682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.099682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.099682 (E_RNA) where: Base-Base interactions energy: -814.576 where: short stacking energy: -346.841 Base-Backbone interact. energy: 0.643 local terms energy: -357.167207 where: bonds (distance) C4'-P energy: -72.761 bonds (distance) P-C4' energy: -70.640 flat angles C4'-P-C4' energy: -78.776 flat angles P-C4'-P energy: -48.467 tors. eta vs tors. theta energy: -86.523 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: 6, replica: 5 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1100.770463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.770463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.770463 (E_RNA) where: Base-Base interactions energy: -741.616 where: short stacking energy: -317.810 Base-Backbone interact. energy: -1.951 local terms energy: -357.203819 where: bonds (distance) C4'-P energy: -72.469 bonds (distance) P-C4' energy: -62.798 flat angles C4'-P-C4' energy: -81.986 flat angles P-C4'-P energy: -45.683 tors. eta vs tors. theta energy: -94.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -955.433482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.433482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.433482 (E_RNA) where: Base-Base interactions energy: -601.291 where: short stacking energy: -281.801 Base-Backbone interact. energy: -1.478 local terms energy: -352.664689 where: bonds (distance) C4'-P energy: -72.332 bonds (distance) P-C4' energy: -79.639 flat angles C4'-P-C4' energy: -80.645 flat angles P-C4'-P energy: -43.766 tors. eta vs tors. theta energy: -76.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -788.070429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.070429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.070429 (E_RNA) where: Base-Base interactions energy: -522.059 where: short stacking energy: -213.693 Base-Backbone interact. energy: 0.644 local terms energy: -266.655350 where: bonds (distance) C4'-P energy: -62.782 bonds (distance) P-C4' energy: -52.552 flat angles C4'-P-C4' energy: -59.065 flat angles P-C4'-P energy: -42.144 tors. eta vs tors. theta energy: -50.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -670.467462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.467462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.467462 (E_RNA) where: Base-Base interactions energy: -394.279 where: short stacking energy: -186.953 Base-Backbone interact. energy: 2.179 local terms energy: -278.368105 where: bonds (distance) C4'-P energy: -72.240 bonds (distance) P-C4' energy: -73.903 flat angles C4'-P-C4' energy: -67.695 flat angles P-C4'-P energy: -35.758 tors. eta vs tors. theta energy: -28.772 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: 2 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -590.447074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.447074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.447074 (E_RNA) where: Base-Base interactions energy: -356.571 where: short stacking energy: -169.713 Base-Backbone interact. energy: -3.267 local terms energy: -230.609351 where: bonds (distance) C4'-P energy: -57.759 bonds (distance) P-C4' energy: -69.090 flat angles C4'-P-C4' energy: -45.568 flat angles P-C4'-P energy: -44.802 tors. eta vs tors. theta energy: -13.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1432.658365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.658365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.658365 (E_RNA) where: Base-Base interactions energy: -999.831 where: short stacking energy: -437.322 Base-Backbone interact. energy: -0.249 local terms energy: -432.577596 where: bonds (distance) C4'-P energy: -75.236 bonds (distance) P-C4' energy: -76.423 flat angles C4'-P-C4' energy: -89.287 flat angles P-C4'-P energy: -61.127 tors. eta vs tors. theta energy: -130.505 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: 10 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1381.150649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.150649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.150649 (E_RNA) where: Base-Base interactions energy: -962.419 where: short stacking energy: -410.781 Base-Backbone interact. energy: -3.780 local terms energy: -414.951619 where: bonds (distance) C4'-P energy: -72.908 bonds (distance) P-C4' energy: -78.695 flat angles C4'-P-C4' energy: -87.717 flat angles P-C4'-P energy: -65.265 tors. eta vs tors. theta energy: -110.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1324.125769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.125769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.125769 (E_RNA) where: Base-Base interactions energy: -912.190 where: short stacking energy: -374.150 Base-Backbone interact. energy: -1.537 local terms energy: -410.398664 where: bonds (distance) C4'-P energy: -79.145 bonds (distance) P-C4' energy: -83.422 flat angles C4'-P-C4' energy: -88.844 flat angles P-C4'-P energy: -56.622 tors. eta vs tors. theta energy: -102.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1257.430410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.430410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.430410 (E_RNA) where: Base-Base interactions energy: -885.140 where: short stacking energy: -377.974 Base-Backbone interact. energy: -1.325 local terms energy: -370.965088 where: bonds (distance) C4'-P energy: -68.581 bonds (distance) P-C4' energy: -73.790 flat angles C4'-P-C4' energy: -80.675 flat angles P-C4'-P energy: -46.091 tors. eta vs tors. theta energy: -101.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1187.044782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.044782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.044782 (E_RNA) where: Base-Base interactions energy: -831.020 where: short stacking energy: -349.062 Base-Backbone interact. energy: -3.478 local terms energy: -352.546586 where: bonds (distance) C4'-P energy: -66.360 bonds (distance) P-C4' energy: -71.855 flat angles C4'-P-C4' energy: -79.356 flat angles P-C4'-P energy: -44.861 tors. eta vs tors. theta energy: -90.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1106.857800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.857800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.857800 (E_RNA) where: Base-Base interactions energy: -763.491 where: short stacking energy: -323.355 Base-Backbone interact. energy: -3.639 local terms energy: -339.727323 where: bonds (distance) C4'-P energy: -75.447 bonds (distance) P-C4' energy: -61.076 flat angles C4'-P-C4' energy: -77.707 flat angles P-C4'-P energy: -37.298 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: 7, replica: 4 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -934.255828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.255828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.255828 (E_RNA) where: Base-Base interactions energy: -607.342 where: short stacking energy: -295.487 Base-Backbone interact. energy: -1.332 local terms energy: -325.582324 where: bonds (distance) C4'-P energy: -62.270 bonds (distance) P-C4' energy: -82.622 flat angles C4'-P-C4' energy: -78.908 flat angles P-C4'-P energy: -38.506 tors. eta vs tors. theta energy: -63.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -832.284984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.284984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.284984 (E_RNA) where: Base-Base interactions energy: -550.551 where: short stacking energy: -255.223 Base-Backbone interact. energy: -1.957 local terms energy: -279.776907 where: bonds (distance) C4'-P energy: -56.864 bonds (distance) P-C4' energy: -68.814 flat angles C4'-P-C4' energy: -69.772 flat angles P-C4'-P energy: -34.765 tors. eta vs tors. theta energy: -49.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -711.484566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.484566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.484566 (E_RNA) where: Base-Base interactions energy: -429.230 where: short stacking energy: -219.194 Base-Backbone interact. energy: -2.585 local terms energy: -279.670184 where: bonds (distance) C4'-P energy: -64.679 bonds (distance) P-C4' energy: -61.086 flat angles C4'-P-C4' energy: -76.967 flat angles P-C4'-P energy: -38.012 tors. eta vs tors. theta energy: -38.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -553.605331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.605331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.605331 (E_RNA) where: Base-Base interactions energy: -326.713 where: short stacking energy: -166.651 Base-Backbone interact. energy: -3.294 local terms energy: -223.597724 where: bonds (distance) C4'-P energy: -66.976 bonds (distance) P-C4' energy: -45.795 flat angles C4'-P-C4' energy: -67.756 flat angles P-C4'-P energy: -28.073 tors. eta vs tors. theta energy: -14.998 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: 9 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1442.449807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.449807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.449807 (E_RNA) where: Base-Base interactions energy: -1002.599 where: short stacking energy: -441.430 Base-Backbone interact. energy: -1.829 local terms energy: -438.021420 where: bonds (distance) C4'-P energy: -76.685 bonds (distance) P-C4' energy: -74.195 flat angles C4'-P-C4' energy: -94.145 flat angles P-C4'-P energy: -64.240 tors. eta vs tors. theta energy: -128.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1368.803318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.803318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.803318 (E_RNA) where: Base-Base interactions energy: -960.366 where: short stacking energy: -399.066 Base-Backbone interact. energy: 0.622 local terms energy: -409.058636 where: bonds (distance) C4'-P energy: -83.022 bonds (distance) P-C4' energy: -76.057 flat angles C4'-P-C4' energy: -86.231 flat angles P-C4'-P energy: -55.214 tors. eta vs tors. theta energy: -108.534 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: 6 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1335.068098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.068098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.068098 (E_RNA) where: Base-Base interactions energy: -924.237 where: short stacking energy: -378.709 Base-Backbone interact. energy: -2.488 local terms energy: -408.342601 where: bonds (distance) C4'-P energy: -73.650 bonds (distance) P-C4' energy: -73.780 flat angles C4'-P-C4' energy: -90.004 flat angles P-C4'-P energy: -54.152 tors. eta vs tors. theta energy: -116.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1249.174580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.174580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.174580 (E_RNA) where: Base-Base interactions energy: -879.588 where: short stacking energy: -368.607 Base-Backbone interact. energy: -2.507 local terms energy: -367.079654 where: bonds (distance) C4'-P energy: -60.561 bonds (distance) P-C4' energy: -66.397 flat angles C4'-P-C4' energy: -83.441 flat angles P-C4'-P energy: -54.069 tors. eta vs tors. theta energy: -102.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1174.235429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.235429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.235429 (E_RNA) where: Base-Base interactions energy: -807.271 where: short stacking energy: -344.284 Base-Backbone interact. energy: -0.633 local terms energy: -366.331327 where: bonds (distance) C4'-P energy: -51.884 bonds (distance) P-C4' energy: -71.295 flat angles C4'-P-C4' energy: -90.721 flat angles P-C4'-P energy: -59.783 tors. eta vs tors. theta energy: -92.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1086.127692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.127692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.127692 (E_RNA) where: Base-Base interactions energy: -747.129 where: short stacking energy: -326.944 Base-Backbone interact. energy: -6.162 local terms energy: -332.836304 where: bonds (distance) C4'-P energy: -63.967 bonds (distance) P-C4' energy: -73.416 flat angles C4'-P-C4' energy: -73.577 flat angles P-C4'-P energy: -42.502 tors. eta vs tors. theta energy: -79.375 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: 4 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -917.358137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.358137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.358137 (E_RNA) where: Base-Base interactions energy: -593.475 where: short stacking energy: -276.272 Base-Backbone interact. energy: -0.929 local terms energy: -322.954924 where: bonds (distance) C4'-P energy: -69.862 bonds (distance) P-C4' energy: -77.893 flat angles C4'-P-C4' energy: -67.832 flat angles P-C4'-P energy: -48.578 tors. eta vs tors. theta energy: -58.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -840.372215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.372215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.372215 (E_RNA) where: Base-Base interactions energy: -563.366 where: short stacking energy: -239.593 Base-Backbone interact. energy: 0.909 local terms energy: -277.915925 where: bonds (distance) C4'-P energy: -59.323 bonds (distance) P-C4' energy: -60.703 flat angles C4'-P-C4' energy: -65.891 flat angles P-C4'-P energy: -47.073 tors. eta vs tors. theta energy: -44.927 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: 288 Temperature: 1.300000 Total energy: -695.690465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.690465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.690465 (E_RNA) where: Base-Base interactions energy: -426.606 where: short stacking energy: -215.506 Base-Backbone interact. energy: 1.389 local terms energy: -270.473131 where: bonds (distance) C4'-P energy: -58.305 bonds (distance) P-C4' energy: -76.836 flat angles C4'-P-C4' energy: -61.449 flat angles P-C4'-P energy: -42.016 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: 10, replica: 2 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -563.272581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.272581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.272581 (E_RNA) where: Base-Base interactions energy: -323.392 where: short stacking energy: -172.007 Base-Backbone interact. energy: -1.137 local terms energy: -238.743501 where: bonds (distance) C4'-P energy: -48.507 bonds (distance) P-C4' energy: -69.300 flat angles C4'-P-C4' energy: -57.504 flat angles P-C4'-P energy: -40.492 tors. eta vs tors. theta energy: -22.941 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: 1, replica: 9 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1432.473927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.473927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.473927 (E_RNA) where: Base-Base interactions energy: -982.459 where: short stacking energy: -435.782 Base-Backbone interact. energy: -0.233 local terms energy: -449.782240 where: bonds (distance) C4'-P energy: -72.110 bonds (distance) P-C4' energy: -85.265 flat angles C4'-P-C4' energy: -92.172 flat angles P-C4'-P energy: -69.213 tors. eta vs tors. theta energy: -131.023 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: 289 Temperature: 0.950000 Total energy: -1367.491395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.491395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.491395 (E_RNA) where: Base-Base interactions energy: -955.516 where: short stacking energy: -399.528 Base-Backbone interact. energy: 1.036 local terms energy: -413.011206 where: bonds (distance) C4'-P energy: -68.279 bonds (distance) P-C4' energy: -64.975 flat angles C4'-P-C4' energy: -88.773 flat angles P-C4'-P energy: -73.368 tors. eta vs tors. theta energy: -117.617 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: 6 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1329.508229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.508229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.508229 (E_RNA) where: Base-Base interactions energy: -900.061 where: short stacking energy: -391.725 Base-Backbone interact. energy: -3.026 local terms energy: -426.421622 where: bonds (distance) C4'-P energy: -71.113 bonds (distance) P-C4' energy: -84.008 flat angles C4'-P-C4' energy: -91.223 flat angles P-C4'-P energy: -51.583 tors. eta vs tors. theta energy: -128.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1253.387054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.387054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.387054 (E_RNA) where: Base-Base interactions energy: -871.495 where: short stacking energy: -353.119 Base-Backbone interact. energy: -0.033 local terms energy: -381.859565 where: bonds (distance) C4'-P energy: -77.856 bonds (distance) P-C4' energy: -77.202 flat angles C4'-P-C4' energy: -70.869 flat angles P-C4'-P energy: -55.060 tors. eta vs tors. theta energy: -100.872 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: 3 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1177.480185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.480185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.480185 (E_RNA) where: Base-Base interactions energy: -796.338 where: short stacking energy: -351.937 Base-Backbone interact. energy: -0.573 local terms energy: -380.568517 where: bonds (distance) C4'-P energy: -79.911 bonds (distance) P-C4' energy: -70.317 flat angles C4'-P-C4' energy: -83.019 flat angles P-C4'-P energy: -44.336 tors. eta vs tors. theta energy: -102.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1059.309803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.309803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.309803 (E_RNA) where: Base-Base interactions energy: -709.112 where: short stacking energy: -325.062 Base-Backbone interact. energy: -1.280 local terms energy: -348.917303 where: bonds (distance) C4'-P energy: -62.847 bonds (distance) P-C4' energy: -66.031 flat angles C4'-P-C4' energy: -76.142 flat angles P-C4'-P energy: -47.854 tors. eta vs tors. theta energy: -96.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -916.662272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.662272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.662272 (E_RNA) where: Base-Base interactions energy: -594.459 where: short stacking energy: -273.200 Base-Backbone interact. energy: -0.973 local terms energy: -321.230060 where: bonds (distance) C4'-P energy: -80.611 bonds (distance) P-C4' energy: -69.460 flat angles C4'-P-C4' energy: -63.755 flat angles P-C4'-P energy: -37.306 tors. eta vs tors. theta energy: -70.099 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: 7 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -812.530804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.530804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.530804 (E_RNA) where: Base-Base interactions energy: -530.717 where: short stacking energy: -246.365 Base-Backbone interact. energy: -0.627 local terms energy: -281.186481 where: bonds (distance) C4'-P energy: -65.790 bonds (distance) P-C4' energy: -68.920 flat angles C4'-P-C4' energy: -59.734 flat angles P-C4'-P energy: -42.460 tors. eta vs tors. theta energy: -44.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -727.039697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.039697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.039697 (E_RNA) where: Base-Base interactions energy: -458.933 where: short stacking energy: -236.558 Base-Backbone interact. energy: -1.864 local terms energy: -266.243193 where: bonds (distance) C4'-P energy: -58.028 bonds (distance) P-C4' energy: -63.998 flat angles C4'-P-C4' energy: -71.574 flat angles P-C4'-P energy: -36.678 tors. eta vs tors. theta energy: -35.966 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: 2 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -544.001739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.001739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.001739 (E_RNA) where: Base-Base interactions energy: -301.350 where: short stacking energy: -152.635 Base-Backbone interact. energy: 4.049 local terms energy: -246.700887 where: bonds (distance) C4'-P energy: -71.754 bonds (distance) P-C4' energy: -62.068 flat angles C4'-P-C4' energy: -60.516 flat angles P-C4'-P energy: -48.333 tors. eta vs tors. theta energy: -4.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1418.844325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.844325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.844325 (E_RNA) where: Base-Base interactions energy: -972.398 where: short stacking energy: -441.429 Base-Backbone interact. energy: -0.946 local terms energy: -445.500093 where: bonds (distance) C4'-P energy: -81.225 bonds (distance) P-C4' energy: -75.578 flat angles C4'-P-C4' energy: -97.452 flat angles P-C4'-P energy: -58.979 tors. eta vs tors. theta energy: -132.265 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: 10 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1371.324521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.324521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.324521 (E_RNA) where: Base-Base interactions energy: -969.807 where: short stacking energy: -412.823 Base-Backbone interact. energy: -0.846 local terms energy: -400.670784 where: bonds (distance) C4'-P energy: -65.874 bonds (distance) P-C4' energy: -77.555 flat angles C4'-P-C4' energy: -89.351 flat angles P-C4'-P energy: -54.035 tors. eta vs tors. theta energy: -113.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1320.914370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.914370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.914370 (E_RNA) where: Base-Base interactions energy: -883.982 where: short stacking energy: -383.164 Base-Backbone interact. energy: -1.477 local terms energy: -435.456120 where: bonds (distance) C4'-P energy: -72.384 bonds (distance) P-C4' energy: -89.605 flat angles C4'-P-C4' energy: -89.375 flat angles P-C4'-P energy: -57.951 tors. eta vs tors. theta energy: -126.140 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: 8 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1262.286179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.286179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.286179 (E_RNA) where: Base-Base interactions energy: -872.943 where: short stacking energy: -370.747 Base-Backbone interact. energy: -2.215 local terms energy: -387.128676 where: bonds (distance) C4'-P energy: -61.909 bonds (distance) P-C4' energy: -69.868 flat angles C4'-P-C4' energy: -91.904 flat angles P-C4'-P energy: -59.060 tors. eta vs tors. theta energy: -104.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1159.577198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.577198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.577198 (E_RNA) where: Base-Base interactions energy: -772.450 where: short stacking energy: -357.756 Base-Backbone interact. energy: -0.405 local terms energy: -386.723008 where: bonds (distance) C4'-P energy: -70.346 bonds (distance) P-C4' energy: -72.369 flat angles C4'-P-C4' energy: -84.955 flat angles P-C4'-P energy: -52.617 tors. eta vs tors. theta energy: -106.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1066.187738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.187738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.187738 (E_RNA) where: Base-Base interactions energy: -734.468 where: short stacking energy: -315.181 Base-Backbone interact. energy: -0.582 local terms energy: -331.137665 where: bonds (distance) C4'-P energy: -70.588 bonds (distance) P-C4' energy: -62.270 flat angles C4'-P-C4' energy: -66.741 flat angles P-C4'-P energy: -41.996 tors. eta vs tors. theta energy: -89.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -917.542727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.542727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.542727 (E_RNA) where: Base-Base interactions energy: -619.390 where: short stacking energy: -274.961 Base-Backbone interact. energy: 0.210 local terms energy: -298.363315 where: bonds (distance) C4'-P energy: -65.894 bonds (distance) P-C4' energy: -67.612 flat angles C4'-P-C4' energy: -71.204 flat angles P-C4'-P energy: -25.346 tors. eta vs tors. theta energy: -68.307 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: 7 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -814.988623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.988623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.988623 (E_RNA) where: Base-Base interactions energy: -520.086 where: short stacking energy: -236.660 Base-Backbone interact. energy: -2.751 local terms energy: -292.151964 where: bonds (distance) C4'-P energy: -66.489 bonds (distance) P-C4' energy: -61.446 flat angles C4'-P-C4' energy: -79.640 flat angles P-C4'-P energy: -41.316 tors. eta vs tors. theta energy: -43.262 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: 1 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -722.240220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.240220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.240220 (E_RNA) where: Base-Base interactions energy: -458.258 where: short stacking energy: -226.392 Base-Backbone interact. energy: -0.887 local terms energy: -263.095083 where: bonds (distance) C4'-P energy: -59.455 bonds (distance) P-C4' energy: -66.631 flat angles C4'-P-C4' energy: -64.765 flat angles P-C4'-P energy: -35.385 tors. eta vs tors. theta energy: -36.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -541.627546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.627546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.627546 (E_RNA) where: Base-Base interactions energy: -316.910 where: short stacking energy: -146.453 Base-Backbone interact. energy: -2.086 local terms energy: -222.631306 where: bonds (distance) C4'-P energy: -69.971 bonds (distance) P-C4' energy: -63.901 flat angles C4'-P-C4' energy: -47.430 flat angles P-C4'-P energy: -41.107 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: 1, replica: 9 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1411.317065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.317065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.317065 (E_RNA) where: Base-Base interactions energy: -966.371 where: short stacking energy: -418.858 Base-Backbone interact. energy: 0.915 local terms energy: -445.860931 where: bonds (distance) C4'-P energy: -79.208 bonds (distance) P-C4' energy: -82.125 flat angles C4'-P-C4' energy: -92.188 flat angles P-C4'-P energy: -65.127 tors. eta vs tors. theta energy: -127.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1377.577747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.577747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.577747 (E_RNA) where: Base-Base interactions energy: -947.291 where: short stacking energy: -419.941 Base-Backbone interact. energy: -0.358 local terms energy: -429.928206 where: bonds (distance) C4'-P energy: -84.164 bonds (distance) P-C4' energy: -81.983 flat angles C4'-P-C4' energy: -85.344 flat angles P-C4'-P energy: -60.487 tors. eta vs tors. theta energy: -117.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1319.579334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.579334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.579334 (E_RNA) where: Base-Base interactions energy: -908.424 where: short stacking energy: -377.862 Base-Backbone interact. energy: -2.069 local terms energy: -409.086302 where: bonds (distance) C4'-P energy: -77.431 bonds (distance) P-C4' energy: -79.018 flat angles C4'-P-C4' energy: -87.580 flat angles P-C4'-P energy: -54.092 tors. eta vs tors. theta energy: -110.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1253.118623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.118623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.118623 (E_RNA) where: Base-Base interactions energy: -870.988 where: short stacking energy: -359.520 Base-Backbone interact. energy: -1.095 local terms energy: -381.035413 where: bonds (distance) C4'-P energy: -64.294 bonds (distance) P-C4' energy: -77.949 flat angles C4'-P-C4' energy: -80.893 flat angles P-C4'-P energy: -59.630 tors. eta vs tors. theta energy: -98.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1188.116617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.116617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.116617 (E_RNA) where: Base-Base interactions energy: -801.996 where: short stacking energy: -354.317 Base-Backbone interact. energy: -0.836 local terms energy: -385.285407 where: bonds (distance) C4'-P energy: -66.547 bonds (distance) P-C4' energy: -75.244 flat angles C4'-P-C4' energy: -85.018 flat angles P-C4'-P energy: -54.252 tors. eta vs tors. theta energy: -104.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1051.473498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.473498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.473498 (E_RNA) where: Base-Base interactions energy: -693.519 where: short stacking energy: -302.098 Base-Backbone interact. energy: 0.034 local terms energy: -357.987645 where: bonds (distance) C4'-P energy: -68.417 bonds (distance) P-C4' energy: -70.946 flat angles C4'-P-C4' energy: -80.763 flat angles P-C4'-P energy: -54.464 tors. eta vs tors. theta energy: -83.397 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: 4 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -933.729303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.729303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.729303 (E_RNA) where: Base-Base interactions energy: -607.325 where: short stacking energy: -286.057 Base-Backbone interact. energy: -2.461 local terms energy: -323.943463 where: bonds (distance) C4'-P energy: -56.449 bonds (distance) P-C4' energy: -68.685 flat angles C4'-P-C4' energy: -75.227 flat angles P-C4'-P energy: -54.590 tors. eta vs tors. theta energy: -68.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -804.153171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.153171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.153171 (E_RNA) where: Base-Base interactions energy: -520.707 where: short stacking energy: -211.537 Base-Backbone interact. energy: -0.271 local terms energy: -283.174939 where: bonds (distance) C4'-P energy: -71.882 bonds (distance) P-C4' energy: -69.053 flat angles C4'-P-C4' energy: -66.133 flat angles P-C4'-P energy: -40.811 tors. eta vs tors. theta energy: -35.295 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: 9, replica: 1 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -686.427306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.427306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.427306 (E_RNA) where: Base-Base interactions energy: -402.006 where: short stacking energy: -202.030 Base-Backbone interact. energy: 3.224 local terms energy: -287.644732 where: bonds (distance) C4'-P energy: -67.895 bonds (distance) P-C4' energy: -68.678 flat angles C4'-P-C4' energy: -53.346 flat angles P-C4'-P energy: -43.440 tors. eta vs tors. theta energy: -54.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -577.082673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.082673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.082673 (E_RNA) where: Base-Base interactions energy: -329.944 where: short stacking energy: -182.634 Base-Backbone interact. energy: 0.656 local terms energy: -247.795201 where: bonds (distance) C4'-P energy: -54.410 bonds (distance) P-C4' energy: -75.241 flat angles C4'-P-C4' energy: -60.743 flat angles P-C4'-P energy: -28.717 tors. eta vs tors. theta energy: -28.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1407.025625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.025625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.025625 (E_RNA) where: Base-Base interactions energy: -955.564 where: short stacking energy: -410.507 Base-Backbone interact. energy: -1.845 local terms energy: -449.616275 where: bonds (distance) C4'-P energy: -86.432 bonds (distance) P-C4' energy: -87.399 flat angles C4'-P-C4' energy: -93.555 flat angles P-C4'-P energy: -58.470 tors. eta vs tors. theta energy: -123.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1394.839895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.839895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.839895 (E_RNA) where: Base-Base interactions energy: -966.319 where: short stacking energy: -414.930 Base-Backbone interact. energy: -0.807 local terms energy: -427.714086 where: bonds (distance) C4'-P energy: -78.757 bonds (distance) P-C4' energy: -78.919 flat angles C4'-P-C4' energy: -86.145 flat angles P-C4'-P energy: -59.793 tors. eta vs tors. theta energy: -124.100 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: 6 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1357.578076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.578076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.578076 (E_RNA) where: Base-Base interactions energy: -941.729 where: short stacking energy: -410.889 Base-Backbone interact. energy: -0.679 local terms energy: -415.170793 where: bonds (distance) C4'-P energy: -71.386 bonds (distance) P-C4' energy: -84.367 flat angles C4'-P-C4' energy: -89.967 flat angles P-C4'-P energy: -54.168 tors. eta vs tors. theta energy: -115.283 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: 8 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1233.350617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.350617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.350617 (E_RNA) where: Base-Base interactions energy: -877.338 where: short stacking energy: -355.817 Base-Backbone interact. energy: -3.181 local terms energy: -352.832008 where: bonds (distance) C4'-P energy: -71.131 bonds (distance) P-C4' energy: -61.207 flat angles C4'-P-C4' energy: -80.692 flat angles P-C4'-P energy: -50.265 tors. eta vs tors. theta energy: -89.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1172.548074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.548074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.548074 (E_RNA) where: Base-Base interactions energy: -799.061 where: short stacking energy: -353.918 Base-Backbone interact. energy: -2.429 local terms energy: -371.058500 where: bonds (distance) C4'-P energy: -68.230 bonds (distance) P-C4' energy: -73.973 flat angles C4'-P-C4' energy: -80.894 flat angles P-C4'-P energy: -52.899 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: 6, replica: 5 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1086.660099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.660099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.660099 (E_RNA) where: Base-Base interactions energy: -723.447 where: short stacking energy: -334.501 Base-Backbone interact. energy: -3.771 local terms energy: -359.442648 where: bonds (distance) C4'-P energy: -59.382 bonds (distance) P-C4' energy: -68.017 flat angles C4'-P-C4' energy: -79.937 flat angles P-C4'-P energy: -52.804 tors. eta vs tors. theta energy: -99.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -925.408723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.408723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.408723 (E_RNA) where: Base-Base interactions energy: -607.248 where: short stacking energy: -281.693 Base-Backbone interact. energy: 2.433 local terms energy: -320.593375 where: bonds (distance) C4'-P energy: -65.786 bonds (distance) P-C4' energy: -75.238 flat angles C4'-P-C4' energy: -67.227 flat angles P-C4'-P energy: -44.875 tors. eta vs tors. theta energy: -67.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -852.422389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.422389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.422389 (E_RNA) where: Base-Base interactions energy: -532.305 where: short stacking energy: -238.654 Base-Backbone interact. energy: 1.087 local terms energy: -321.204395 where: bonds (distance) C4'-P energy: -69.628 bonds (distance) P-C4' energy: -74.096 flat angles C4'-P-C4' energy: -77.951 flat angles P-C4'-P energy: -48.110 tors. eta vs tors. theta energy: -51.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -639.533754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.533754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.533754 (E_RNA) where: Base-Base interactions energy: -386.861 where: short stacking energy: -186.195 Base-Backbone interact. energy: -0.893 local terms energy: -251.779209 where: bonds (distance) C4'-P energy: -64.994 bonds (distance) P-C4' energy: -60.368 flat angles C4'-P-C4' energy: -72.536 flat angles P-C4'-P energy: -40.208 tors. eta vs tors. theta energy: -13.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -562.338973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.338973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.338973 (E_RNA) where: Base-Base interactions energy: -312.858 where: short stacking energy: -172.067 Base-Backbone interact. energy: 0.704 local terms energy: -250.185321 where: bonds (distance) C4'-P energy: -58.861 bonds (distance) P-C4' energy: -74.056 flat angles C4'-P-C4' energy: -64.591 flat angles P-C4'-P energy: -34.069 tors. eta vs tors. theta energy: -18.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1409.784319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.784319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.784319 (E_RNA) where: Base-Base interactions energy: -966.808 where: short stacking energy: -420.596 Base-Backbone interact. energy: -1.477 local terms energy: -441.499427 where: bonds (distance) C4'-P energy: -85.738 bonds (distance) P-C4' energy: -73.922 flat angles C4'-P-C4' energy: -95.475 flat angles P-C4'-P energy: -63.079 tors. eta vs tors. theta energy: -123.286 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: 9 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1395.224942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.224942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.224942 (E_RNA) where: Base-Base interactions energy: -963.145 where: short stacking energy: -421.967 Base-Backbone interact. energy: -1.749 local terms energy: -430.330522 where: bonds (distance) C4'-P energy: -81.066 bonds (distance) P-C4' energy: -70.001 flat angles C4'-P-C4' energy: -92.608 flat angles P-C4'-P energy: -59.482 tors. eta vs tors. theta energy: -127.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1349.359056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.359056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.359056 (E_RNA) where: Base-Base interactions energy: -934.203 where: short stacking energy: -391.107 Base-Backbone interact. energy: -1.049 local terms energy: -414.107108 where: bonds (distance) C4'-P energy: -72.775 bonds (distance) P-C4' energy: -74.538 flat angles C4'-P-C4' energy: -90.614 flat angles P-C4'-P energy: -61.035 tors. eta vs tors. theta energy: -115.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1237.901142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.901142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.901142 (E_RNA) where: Base-Base interactions energy: -841.824 where: short stacking energy: -367.550 Base-Backbone interact. energy: -2.398 local terms energy: -393.679750 where: bonds (distance) C4'-P energy: -79.024 bonds (distance) P-C4' energy: -80.934 flat angles C4'-P-C4' energy: -89.020 flat angles P-C4'-P energy: -53.255 tors. eta vs tors. theta energy: -91.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1186.235832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.235832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.235832 (E_RNA) where: Base-Base interactions energy: -806.682 where: short stacking energy: -357.410 Base-Backbone interact. energy: 1.164 local terms energy: -380.718030 where: bonds (distance) C4'-P energy: -65.409 bonds (distance) P-C4' energy: -74.618 flat angles C4'-P-C4' energy: -89.759 flat angles P-C4'-P energy: -53.564 tors. eta vs tors. theta energy: -97.369 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: 6, replica: 5 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1075.389455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.389455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.389455 (E_RNA) where: Base-Base interactions energy: -732.117 where: short stacking energy: -305.766 Base-Backbone interact. energy: -1.288 local terms energy: -341.984997 where: bonds (distance) C4'-P energy: -74.897 bonds (distance) P-C4' energy: -76.434 flat angles C4'-P-C4' energy: -72.299 flat angles P-C4'-P energy: -47.300 tors. eta vs tors. theta energy: -71.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -929.082537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.082537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.082537 (E_RNA) where: Base-Base interactions energy: -627.045 where: short stacking energy: -290.331 Base-Backbone interact. energy: 0.340 local terms energy: -302.377648 where: bonds (distance) C4'-P energy: -58.954 bonds (distance) P-C4' energy: -66.097 flat angles C4'-P-C4' energy: -71.544 flat angles P-C4'-P energy: -36.400 tors. eta vs tors. theta energy: -69.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -844.967466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.967466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.967466 (E_RNA) where: Base-Base interactions energy: -565.711 where: short stacking energy: -261.719 Base-Backbone interact. energy: 0.060 local terms energy: -279.316462 where: bonds (distance) C4'-P energy: -49.447 bonds (distance) P-C4' energy: -62.346 flat angles C4'-P-C4' energy: -72.866 flat angles P-C4'-P energy: -34.578 tors. eta vs tors. theta energy: -60.081 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: 293 Temperature: 1.300000 Total energy: -722.599351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.599351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.599351 (E_RNA) where: Base-Base interactions energy: -444.388 where: short stacking energy: -199.495 Base-Backbone interact. energy: -2.316 local terms energy: -275.895534 where: bonds (distance) C4'-P energy: -63.425 bonds (distance) P-C4' energy: -77.638 flat angles C4'-P-C4' energy: -69.721 flat angles P-C4'-P energy: -30.144 tors. eta vs tors. theta energy: -34.968 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: 2 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -572.746515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.746515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.746515 (E_RNA) where: Base-Base interactions energy: -334.689 where: short stacking energy: -165.117 Base-Backbone interact. energy: 0.098 local terms energy: -238.155188 where: bonds (distance) C4'-P energy: -63.724 bonds (distance) P-C4' energy: -55.708 flat angles C4'-P-C4' energy: -66.202 flat angles P-C4'-P energy: -35.760 tors. eta vs tors. theta energy: -16.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1408.947530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.947530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.947530 (E_RNA) where: Base-Base interactions energy: -975.637 where: short stacking energy: -427.486 Base-Backbone interact. energy: -0.883 local terms energy: -432.427187 where: bonds (distance) C4'-P energy: -75.890 bonds (distance) P-C4' energy: -86.073 flat angles C4'-P-C4' energy: -93.546 flat angles P-C4'-P energy: -65.701 tors. eta vs tors. theta energy: -111.217 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: 9 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1419.955156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.955156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.955156 (E_RNA) where: Base-Base interactions energy: -959.822 where: short stacking energy: -419.294 Base-Backbone interact. energy: -1.719 local terms energy: -458.413755 where: bonds (distance) C4'-P energy: -77.418 bonds (distance) P-C4' energy: -83.195 flat angles C4'-P-C4' energy: -92.157 flat angles P-C4'-P energy: -66.657 tors. eta vs tors. theta energy: -138.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1322.556516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.556516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.556516 (E_RNA) where: Base-Base interactions energy: -920.035 where: short stacking energy: -384.764 Base-Backbone interact. energy: -1.561 local terms energy: -400.960296 where: bonds (distance) C4'-P energy: -75.577 bonds (distance) P-C4' energy: -75.385 flat angles C4'-P-C4' energy: -85.422 flat angles P-C4'-P energy: -57.464 tors. eta vs tors. theta energy: -107.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1259.533520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.533520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.533520 (E_RNA) where: Base-Base interactions energy: -876.667 where: short stacking energy: -357.102 Base-Backbone interact. energy: -2.913 local terms energy: -379.952814 where: bonds (distance) C4'-P energy: -72.098 bonds (distance) P-C4' energy: -77.546 flat angles C4'-P-C4' energy: -85.462 flat angles P-C4'-P energy: -44.179 tors. eta vs tors. theta energy: -100.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1186.426449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.426449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.426449 (E_RNA) where: Base-Base interactions energy: -810.232 where: short stacking energy: -353.975 Base-Backbone interact. energy: 0.874 local terms energy: -377.068394 where: bonds (distance) C4'-P energy: -67.236 bonds (distance) P-C4' energy: -70.416 flat angles C4'-P-C4' energy: -93.787 flat angles P-C4'-P energy: -56.423 tors. eta vs tors. theta energy: -89.206 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: 6, replica: 5 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1069.512115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.512115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.512115 (E_RNA) where: Base-Base interactions energy: -710.451 where: short stacking energy: -304.367 Base-Backbone interact. energy: -2.264 local terms energy: -356.797191 where: bonds (distance) C4'-P energy: -75.309 bonds (distance) P-C4' energy: -61.989 flat angles C4'-P-C4' energy: -80.589 flat angles P-C4'-P energy: -58.402 tors. eta vs tors. theta energy: -80.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -947.647077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.647077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.647077 (E_RNA) where: Base-Base interactions energy: -619.742 where: short stacking energy: -283.013 Base-Backbone interact. energy: 1.318 local terms energy: -329.223318 where: bonds (distance) C4'-P energy: -80.964 bonds (distance) P-C4' energy: -76.689 flat angles C4'-P-C4' energy: -66.264 flat angles P-C4'-P energy: -35.015 tors. eta vs tors. theta energy: -70.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -820.681621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.681621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.681621 (E_RNA) where: Base-Base interactions energy: -522.686 where: short stacking energy: -230.798 Base-Backbone interact. energy: 0.648 local terms energy: -298.644290 where: bonds (distance) C4'-P energy: -61.449 bonds (distance) P-C4' energy: -63.557 flat angles C4'-P-C4' energy: -76.390 flat angles P-C4'-P energy: -42.287 tors. eta vs tors. theta energy: -54.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -696.433305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.433305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.433305 (E_RNA) where: Base-Base interactions energy: -412.578 where: short stacking energy: -212.553 Base-Backbone interact. energy: -0.967 local terms energy: -282.887863 where: bonds (distance) C4'-P energy: -68.379 bonds (distance) P-C4' energy: -65.447 flat angles C4'-P-C4' energy: -79.772 flat angles P-C4'-P energy: -41.549 tors. eta vs tors. theta energy: -27.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -529.903565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.903565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.903565 (E_RNA) where: Base-Base interactions energy: -295.478 where: short stacking energy: -158.707 Base-Backbone interact. energy: -2.414 local terms energy: -232.011235 where: bonds (distance) C4'-P energy: -69.045 bonds (distance) P-C4' energy: -58.693 flat angles C4'-P-C4' energy: -50.207 flat angles P-C4'-P energy: -36.302 tors. eta vs tors. theta energy: -17.764 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: 1, replica: 10 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1414.090565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.090565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.090565 (E_RNA) where: Base-Base interactions energy: -978.487 where: short stacking energy: -418.462 Base-Backbone interact. energy: -0.329 local terms energy: -435.273834 where: bonds (distance) C4'-P energy: -78.626 bonds (distance) P-C4' energy: -78.122 flat angles C4'-P-C4' energy: -91.992 flat angles P-C4'-P energy: -63.301 tors. eta vs tors. theta energy: -123.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1403.405044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.405044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.405044 (E_RNA) where: Base-Base interactions energy: -954.915 where: short stacking energy: -414.127 Base-Backbone interact. energy: -2.399 local terms energy: -446.090923 where: bonds (distance) C4'-P energy: -72.135 bonds (distance) P-C4' energy: -79.869 flat angles C4'-P-C4' energy: -92.912 flat angles P-C4'-P energy: -66.502 tors. eta vs tors. theta energy: -134.673 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: 6 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1338.431118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.431118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.431118 (E_RNA) where: Base-Base interactions energy: -937.116 where: short stacking energy: -391.038 Base-Backbone interact. energy: -1.196 local terms energy: -400.119434 where: bonds (distance) C4'-P energy: -82.014 bonds (distance) P-C4' energy: -79.868 flat angles C4'-P-C4' energy: -79.911 flat angles P-C4'-P energy: -46.974 tors. eta vs tors. theta energy: -111.354 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: 4, replica: 3 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1194.078095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.078095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.078095 (E_RNA) where: Base-Base interactions energy: -816.231 where: short stacking energy: -324.790 Base-Backbone interact. energy: -2.713 local terms energy: -375.133878 where: bonds (distance) C4'-P energy: -75.293 bonds (distance) P-C4' energy: -81.261 flat angles C4'-P-C4' energy: -82.217 flat angles P-C4'-P energy: -44.268 tors. eta vs tors. theta energy: -92.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1227.050437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.050437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.050437 (E_RNA) where: Base-Base interactions energy: -867.350 where: short stacking energy: -350.573 Base-Backbone interact. energy: 0.202 local terms energy: -359.902498 where: bonds (distance) C4'-P energy: -70.835 bonds (distance) P-C4' energy: -67.529 flat angles C4'-P-C4' energy: -70.363 flat angles P-C4'-P energy: -51.456 tors. eta vs tors. theta energy: -99.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1029.238643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.238643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.238643 (E_RNA) where: Base-Base interactions energy: -703.581 where: short stacking energy: -309.335 Base-Backbone interact. energy: -1.613 local terms energy: -324.044789 where: bonds (distance) C4'-P energy: -54.384 bonds (distance) P-C4' energy: -69.763 flat angles C4'-P-C4' energy: -79.544 flat angles P-C4'-P energy: -49.108 tors. eta vs tors. theta energy: -71.245 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: 4 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -943.090565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.090565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.090565 (E_RNA) where: Base-Base interactions energy: -610.359 where: short stacking energy: -298.539 Base-Backbone interact. energy: 4.518 local terms energy: -337.249664 where: bonds (distance) C4'-P energy: -65.448 bonds (distance) P-C4' energy: -73.175 flat angles C4'-P-C4' energy: -78.770 flat angles P-C4'-P energy: -47.476 tors. eta vs tors. theta energy: -72.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -826.087928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.087928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.087928 (E_RNA) where: Base-Base interactions energy: -521.458 where: short stacking energy: -230.854 Base-Backbone interact. energy: 2.340 local terms energy: -306.970003 where: bonds (distance) C4'-P energy: -63.294 bonds (distance) P-C4' energy: -72.377 flat angles C4'-P-C4' energy: -74.567 flat angles P-C4'-P energy: -42.490 tors. eta vs tors. theta energy: -54.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -667.968874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.968874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.968874 (E_RNA) where: Base-Base interactions energy: -395.136 where: short stacking energy: -186.895 Base-Backbone interact. energy: 0.136 local terms energy: -272.968337 where: bonds (distance) C4'-P energy: -74.939 bonds (distance) P-C4' energy: -51.923 flat angles C4'-P-C4' energy: -67.646 flat angles P-C4'-P energy: -42.497 tors. eta vs tors. theta energy: -35.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -552.438572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.438572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.438572 (E_RNA) where: Base-Base interactions energy: -322.687 where: short stacking energy: -166.211 Base-Backbone interact. energy: -1.544 local terms energy: -228.207557 where: bonds (distance) C4'-P energy: -64.545 bonds (distance) P-C4' energy: -74.726 flat angles C4'-P-C4' energy: -42.821 flat angles P-C4'-P energy: -27.810 tors. eta vs tors. theta energy: -18.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1435.923287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.923287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.923287 (E_RNA) where: Base-Base interactions energy: -996.622 where: short stacking energy: -424.888 Base-Backbone interact. energy: -2.701 local terms energy: -436.599366 where: bonds (distance) C4'-P energy: -78.504 bonds (distance) P-C4' energy: -72.108 flat angles C4'-P-C4' energy: -91.086 flat angles P-C4'-P energy: -65.318 tors. eta vs tors. theta energy: -129.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1387.275190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.275190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.275190 (E_RNA) where: Base-Base interactions energy: -963.264 where: short stacking energy: -438.439 Base-Backbone interact. energy: -0.828 local terms energy: -423.182814 where: bonds (distance) C4'-P energy: -78.681 bonds (distance) P-C4' energy: -71.244 flat angles C4'-P-C4' energy: -91.940 flat angles P-C4'-P energy: -59.679 tors. eta vs tors. theta energy: -121.638 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: 6 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1313.376133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.376133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.376133 (E_RNA) where: Base-Base interactions energy: -914.890 where: short stacking energy: -371.947 Base-Backbone interact. energy: -0.546 local terms energy: -397.940413 where: bonds (distance) C4'-P energy: -74.762 bonds (distance) P-C4' energy: -71.558 flat angles C4'-P-C4' energy: -85.151 flat angles P-C4'-P energy: -59.638 tors. eta vs tors. theta energy: -106.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1218.697235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.697235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.697235 (E_RNA) where: Base-Base interactions energy: -825.312 where: short stacking energy: -352.227 Base-Backbone interact. energy: -0.309 local terms energy: -393.076444 where: bonds (distance) C4'-P energy: -74.972 bonds (distance) P-C4' energy: -75.818 flat angles C4'-P-C4' energy: -82.308 flat angles P-C4'-P energy: -62.114 tors. eta vs tors. theta energy: -97.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1066.482685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.482685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.482685 (E_RNA) where: Base-Base interactions energy: -711.648 where: short stacking energy: -302.258 Base-Backbone interact. energy: 0.800 local terms energy: -355.634721 where: bonds (distance) C4'-P energy: -76.237 bonds (distance) P-C4' energy: -62.734 flat angles C4'-P-C4' energy: -75.085 flat angles P-C4'-P energy: -59.599 tors. eta vs tors. theta energy: -81.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1184.409990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.409990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.409990 (E_RNA) where: Base-Base interactions energy: -817.126 where: short stacking energy: -346.259 Base-Backbone interact. energy: -2.694 local terms energy: -364.590180 where: bonds (distance) C4'-P energy: -77.768 bonds (distance) P-C4' energy: -69.345 flat angles C4'-P-C4' energy: -80.945 flat angles P-C4'-P energy: -45.728 tors. eta vs tors. theta energy: -90.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -941.924059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.924059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.924059 (E_RNA) where: Base-Base interactions energy: -604.933 where: short stacking energy: -296.706 Base-Backbone interact. energy: -1.072 local terms energy: -335.918941 where: bonds (distance) C4'-P energy: -71.212 bonds (distance) P-C4' energy: -72.230 flat angles C4'-P-C4' energy: -71.111 flat angles P-C4'-P energy: -50.288 tors. eta vs tors. theta energy: -71.079 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: 8, replica: 7 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -838.651947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.651947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.651947 (E_RNA) where: Base-Base interactions energy: -557.150 where: short stacking energy: -252.645 Base-Backbone interact. energy: -0.769 local terms energy: -280.733798 where: bonds (distance) C4'-P energy: -54.746 bonds (distance) P-C4' energy: -56.093 flat angles C4'-P-C4' energy: -73.242 flat angles P-C4'-P energy: -37.309 tors. eta vs tors. theta energy: -59.343 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: 9, replica: 1 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -757.739550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.739550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.739550 (E_RNA) where: Base-Base interactions energy: -474.183 where: short stacking energy: -230.378 Base-Backbone interact. energy: -2.614 local terms energy: -280.942270 where: bonds (distance) C4'-P energy: -56.589 bonds (distance) P-C4' energy: -64.131 flat angles C4'-P-C4' energy: -63.970 flat angles P-C4'-P energy: -51.287 tors. eta vs tors. theta energy: -44.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -542.344911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.344911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.344911 (E_RNA) where: Base-Base interactions energy: -305.244 where: short stacking energy: -153.102 Base-Backbone interact. energy: 1.151 local terms energy: -238.251633 where: bonds (distance) C4'-P energy: -74.271 bonds (distance) P-C4' energy: -53.079 flat angles C4'-P-C4' energy: -67.199 flat angles P-C4'-P energy: -31.248 tors. eta vs tors. theta energy: -12.455 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: 9 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1439.707078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.707078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.707078 (E_RNA) where: Base-Base interactions energy: -975.299 where: short stacking energy: -445.205 Base-Backbone interact. energy: -0.376 local terms energy: -464.032686 where: bonds (distance) C4'-P energy: -85.256 bonds (distance) P-C4' energy: -87.621 flat angles C4'-P-C4' energy: -92.961 flat angles P-C4'-P energy: -63.251 tors. eta vs tors. theta energy: -134.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1335.041683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.041683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.041683 (E_RNA) where: Base-Base interactions energy: -933.714 where: short stacking energy: -390.119 Base-Backbone interact. energy: -1.142 local terms energy: -400.185468 where: bonds (distance) C4'-P energy: -77.275 bonds (distance) P-C4' energy: -68.170 flat angles C4'-P-C4' energy: -93.443 flat angles P-C4'-P energy: -56.088 tors. eta vs tors. theta energy: -105.210 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: 10 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1336.350912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.350912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.350912 (E_RNA) where: Base-Base interactions energy: -928.148 where: short stacking energy: -406.545 Base-Backbone interact. energy: -1.195 local terms energy: -407.008264 where: bonds (distance) C4'-P energy: -66.501 bonds (distance) P-C4' energy: -77.388 flat angles C4'-P-C4' energy: -89.806 flat angles P-C4'-P energy: -57.676 tors. eta vs tors. theta energy: -115.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1196.236984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.236984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.236984 (E_RNA) where: Base-Base interactions energy: -830.206 where: short stacking energy: -337.438 Base-Backbone interact. energy: -2.388 local terms energy: -363.643783 where: bonds (distance) C4'-P energy: -77.362 bonds (distance) P-C4' energy: -68.346 flat angles C4'-P-C4' energy: -80.296 flat angles P-C4'-P energy: -46.593 tors. eta vs tors. theta energy: -91.047 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: 5 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1095.089955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.089955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.089955 (E_RNA) where: Base-Base interactions energy: -738.289 where: short stacking energy: -326.985 Base-Backbone interact. energy: -1.096 local terms energy: -355.704509 where: bonds (distance) C4'-P energy: -65.915 bonds (distance) P-C4' energy: -62.877 flat angles C4'-P-C4' energy: -83.102 flat angles P-C4'-P energy: -58.837 tors. eta vs tors. theta energy: -84.974 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: 6, replica: 8 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1171.228505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.228505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.228505 (E_RNA) where: Base-Base interactions energy: -822.552 where: short stacking energy: -341.101 Base-Backbone interact. energy: -4.728 local terms energy: -343.948812 where: bonds (distance) C4'-P energy: -55.127 bonds (distance) P-C4' energy: -64.861 flat angles C4'-P-C4' energy: -79.123 flat angles P-C4'-P energy: -50.261 tors. eta vs tors. theta energy: -94.577 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: 4 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -918.651503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.651503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.651503 (E_RNA) where: Base-Base interactions energy: -574.528 where: short stacking energy: -268.937 Base-Backbone interact. energy: -2.324 local terms energy: -341.799908 where: bonds (distance) C4'-P energy: -74.442 bonds (distance) P-C4' energy: -68.376 flat angles C4'-P-C4' energy: -78.311 flat angles P-C4'-P energy: -49.596 tors. eta vs tors. theta energy: -71.075 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: 1 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -801.589151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.589151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.589151 (E_RNA) where: Base-Base interactions energy: -516.191 where: short stacking energy: -230.033 Base-Backbone interact. energy: -0.045 local terms energy: -285.352822 where: bonds (distance) C4'-P energy: -57.511 bonds (distance) P-C4' energy: -67.768 flat angles C4'-P-C4' energy: -71.957 flat angles P-C4'-P energy: -28.645 tors. eta vs tors. theta energy: -59.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -776.159157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.159157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.159157 (E_RNA) where: Base-Base interactions energy: -505.733 where: short stacking energy: -239.064 Base-Backbone interact. energy: -2.389 local terms energy: -268.037921 where: bonds (distance) C4'-P energy: -65.215 bonds (distance) P-C4' energy: -45.533 flat angles C4'-P-C4' energy: -73.177 flat angles P-C4'-P energy: -37.734 tors. eta vs tors. theta energy: -46.378 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: 2 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -546.272942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.272942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.272942 (E_RNA) where: Base-Base interactions energy: -312.548 where: short stacking energy: -153.212 Base-Backbone interact. energy: 2.276 local terms energy: -236.001703 where: bonds (distance) C4'-P energy: -59.890 bonds (distance) P-C4' energy: -72.498 flat angles C4'-P-C4' energy: -53.360 flat angles P-C4'-P energy: -44.185 tors. eta vs tors. theta energy: -6.069 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: 9 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1441.745393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.745393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.745393 (E_RNA) where: Base-Base interactions energy: -984.704 where: short stacking energy: -418.031 Base-Backbone interact. energy: -0.907 local terms energy: -456.134306 where: bonds (distance) C4'-P energy: -85.598 bonds (distance) P-C4' energy: -79.719 flat angles C4'-P-C4' energy: -93.022 flat angles P-C4'-P energy: -68.404 tors. eta vs tors. theta energy: -129.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1343.939258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.939258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.939258 (E_RNA) where: Base-Base interactions energy: -937.589 where: short stacking energy: -394.772 Base-Backbone interact. energy: -2.236 local terms energy: -404.113950 where: bonds (distance) C4'-P energy: -71.080 bonds (distance) P-C4' energy: -67.473 flat angles C4'-P-C4' energy: -87.018 flat angles P-C4'-P energy: -66.525 tors. eta vs tors. theta energy: -112.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1330.770787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.770787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.770787 (E_RNA) where: Base-Base interactions energy: -933.356 where: short stacking energy: -385.184 Base-Backbone interact. energy: 6.240 local terms energy: -403.655313 where: bonds (distance) C4'-P energy: -75.453 bonds (distance) P-C4' energy: -80.080 flat angles C4'-P-C4' energy: -89.727 flat angles P-C4'-P energy: -46.928 tors. eta vs tors. theta energy: -111.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1206.850207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.850207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.850207 (E_RNA) where: Base-Base interactions energy: -817.667 where: short stacking energy: -359.862 Base-Backbone interact. energy: -2.337 local terms energy: -386.846232 where: bonds (distance) C4'-P energy: -63.785 bonds (distance) P-C4' energy: -74.425 flat angles C4'-P-C4' energy: -85.893 flat angles P-C4'-P energy: -54.749 tors. eta vs tors. theta energy: -107.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1168.512695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.512695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.512695 (E_RNA) where: Base-Base interactions energy: -816.491 where: short stacking energy: -333.438 Base-Backbone interact. energy: -0.313 local terms energy: -351.708333 where: bonds (distance) C4'-P energy: -60.147 bonds (distance) P-C4' energy: -65.726 flat angles C4'-P-C4' energy: -80.286 flat angles P-C4'-P energy: -54.489 tors. eta vs tors. theta energy: -91.061 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: 6, replica: 5 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1047.310959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.310959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.310959 (E_RNA) where: Base-Base interactions energy: -715.266 where: short stacking energy: -289.830 Base-Backbone interact. energy: 0.234 local terms energy: -332.278768 where: bonds (distance) C4'-P energy: -56.199 bonds (distance) P-C4' energy: -65.316 flat angles C4'-P-C4' energy: -82.428 flat angles P-C4'-P energy: -49.160 tors. eta vs tors. theta energy: -79.175 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: 4 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -936.639295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.639295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.639295 (E_RNA) where: Base-Base interactions energy: -593.336 where: short stacking energy: -293.229 Base-Backbone interact. energy: -2.019 local terms energy: -341.284645 where: bonds (distance) C4'-P energy: -69.633 bonds (distance) P-C4' energy: -68.713 flat angles C4'-P-C4' energy: -73.848 flat angles P-C4'-P energy: -55.626 tors. eta vs tors. theta energy: -73.463 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: 1 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -804.557816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.557816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.557816 (E_RNA) where: Base-Base interactions energy: -503.678 where: short stacking energy: -219.973 Base-Backbone interact. energy: -1.409 local terms energy: -299.470979 where: bonds (distance) C4'-P energy: -70.854 bonds (distance) P-C4' energy: -71.211 flat angles C4'-P-C4' energy: -63.773 flat angles P-C4'-P energy: -41.295 tors. eta vs tors. theta energy: -52.338 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: 7 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -805.491296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.491296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.491296 (E_RNA) where: Base-Base interactions energy: -521.246 where: short stacking energy: -235.283 Base-Backbone interact. energy: -1.589 local terms energy: -282.656962 where: bonds (distance) C4'-P energy: -63.461 bonds (distance) P-C4' energy: -62.832 flat angles C4'-P-C4' energy: -75.340 flat angles P-C4'-P energy: -33.353 tors. eta vs tors. theta energy: -47.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -561.936910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.936910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.936910 (E_RNA) where: Base-Base interactions energy: -326.416 where: short stacking energy: -148.203 Base-Backbone interact. energy: -0.772 local terms energy: -234.748290 where: bonds (distance) C4'-P energy: -66.397 bonds (distance) P-C4' energy: -59.666 flat angles C4'-P-C4' energy: -56.075 flat angles P-C4'-P energy: -39.308 tors. eta vs tors. theta energy: -13.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1435.843551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.843551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.843551 (E_RNA) where: Base-Base interactions energy: -992.671 where: short stacking energy: -439.243 Base-Backbone interact. energy: -1.892 local terms energy: -441.280405 where: bonds (distance) C4'-P energy: -73.056 bonds (distance) P-C4' energy: -75.734 flat angles C4'-P-C4' energy: -93.578 flat angles P-C4'-P energy: -66.776 tors. eta vs tors. theta energy: -132.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1390.348488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.348488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.348488 (E_RNA) where: Base-Base interactions energy: -955.275 where: short stacking energy: -414.776 Base-Backbone interact. energy: -0.282 local terms energy: -434.791524 where: bonds (distance) C4'-P energy: -83.565 bonds (distance) P-C4' energy: -77.613 flat angles C4'-P-C4' energy: -94.731 flat angles P-C4'-P energy: -58.728 tors. eta vs tors. theta energy: -120.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1312.207040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.207040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.207040 (E_RNA) where: Base-Base interactions energy: -927.377 where: short stacking energy: -383.572 Base-Backbone interact. energy: -2.419 local terms energy: -382.410653 where: bonds (distance) C4'-P energy: -74.082 bonds (distance) P-C4' energy: -71.137 flat angles C4'-P-C4' energy: -79.307 flat angles P-C4'-P energy: -54.026 tors. eta vs tors. theta energy: -103.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1210.235633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.235633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.235633 (E_RNA) where: Base-Base interactions energy: -828.807 where: short stacking energy: -351.728 Base-Backbone interact. energy: 1.280 local terms energy: -382.708530 where: bonds (distance) C4'-P energy: -65.325 bonds (distance) P-C4' energy: -80.793 flat angles C4'-P-C4' energy: -79.897 flat angles P-C4'-P energy: -56.419 tors. eta vs tors. theta energy: -100.275 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: 3 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1184.403802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.403802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.403802 (E_RNA) where: Base-Base interactions energy: -821.162 where: short stacking energy: -344.259 Base-Backbone interact. energy: 1.164 local terms energy: -364.405810 where: bonds (distance) C4'-P energy: -69.986 bonds (distance) P-C4' energy: -67.885 flat angles C4'-P-C4' energy: -83.023 flat angles P-C4'-P energy: -52.319 tors. eta vs tors. theta energy: -91.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1071.151142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.151142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.151142 (E_RNA) where: Base-Base interactions energy: -724.159 where: short stacking energy: -329.390 Base-Backbone interact. energy: 1.975 local terms energy: -348.967529 where: bonds (distance) C4'-P energy: -69.428 bonds (distance) P-C4' energy: -81.768 flat angles C4'-P-C4' energy: -70.265 flat angles P-C4'-P energy: -54.062 tors. eta vs tors. theta energy: -73.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -984.090534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.090534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.090534 (E_RNA) where: Base-Base interactions energy: -657.760 where: short stacking energy: -299.910 Base-Backbone interact. energy: -1.079 local terms energy: -325.252012 where: bonds (distance) C4'-P energy: -56.116 bonds (distance) P-C4' energy: -77.527 flat angles C4'-P-C4' energy: -68.158 flat angles P-C4'-P energy: -45.251 tors. eta vs tors. theta energy: -78.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -854.482764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.482764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.482764 (E_RNA) where: Base-Base interactions energy: -557.204 where: short stacking energy: -273.611 Base-Backbone interact. energy: 0.353 local terms energy: -297.632324 where: bonds (distance) C4'-P energy: -62.075 bonds (distance) P-C4' energy: -71.480 flat angles C4'-P-C4' energy: -61.804 flat angles P-C4'-P energy: -43.279 tors. eta vs tors. theta energy: -58.994 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: 299 Temperature: 1.300000 Total energy: -745.333429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.333429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.333429 (E_RNA) where: Base-Base interactions energy: -462.220 where: short stacking energy: -216.589 Base-Backbone interact. energy: 1.398 local terms energy: -284.511112 where: bonds (distance) C4'-P energy: -64.307 bonds (distance) P-C4' energy: -79.265 flat angles C4'-P-C4' energy: -66.014 flat angles P-C4'-P energy: -41.046 tors. eta vs tors. theta energy: -33.879 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: 10, replica: 2 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -576.817649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.817649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.817649 (E_RNA) where: Base-Base interactions energy: -345.604 where: short stacking energy: -149.828 Base-Backbone interact. energy: -0.491 local terms energy: -230.722670 where: bonds (distance) C4'-P energy: -56.596 bonds (distance) P-C4' energy: -67.828 flat angles C4'-P-C4' energy: -61.271 flat angles P-C4'-P energy: -35.332 tors. eta vs tors. theta energy: -9.696 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: 9 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1400.590807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.590807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.590807 (E_RNA) where: Base-Base interactions energy: -977.376 where: short stacking energy: -433.413 Base-Backbone interact. energy: -0.120 local terms energy: -423.095365 where: bonds (distance) C4'-P energy: -81.018 bonds (distance) P-C4' energy: -71.012 flat angles C4'-P-C4' energy: -94.555 flat angles P-C4'-P energy: -51.981 tors. eta vs tors. theta energy: -124.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1374.785850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.785850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.785850 (E_RNA) where: Base-Base interactions energy: -957.554 where: short stacking energy: -405.604 Base-Backbone interact. energy: -1.389 local terms energy: -415.842772 where: bonds (distance) C4'-P energy: -72.120 bonds (distance) P-C4' energy: -78.022 flat angles C4'-P-C4' energy: -85.469 flat angles P-C4'-P energy: -65.531 tors. eta vs tors. theta energy: -114.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1315.912906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.912906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.912906 (E_RNA) where: Base-Base interactions energy: -928.703 where: short stacking energy: -384.582 Base-Backbone interact. energy: 1.352 local terms energy: -388.562322 where: bonds (distance) C4'-P energy: -75.957 bonds (distance) P-C4' energy: -75.726 flat angles C4'-P-C4' energy: -74.693 flat angles P-C4'-P energy: -55.576 tors. eta vs tors. theta energy: -106.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1219.249159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.249159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.249159 (E_RNA) where: Base-Base interactions energy: -829.575 where: short stacking energy: -365.494 Base-Backbone interact. energy: 0.004 local terms energy: -389.678514 where: bonds (distance) C4'-P energy: -71.015 bonds (distance) P-C4' energy: -73.707 flat angles C4'-P-C4' energy: -87.779 flat angles P-C4'-P energy: -64.199 tors. eta vs tors. theta energy: -92.978 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: 5, replica: 3 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1198.231833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.231833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.231833 (E_RNA) where: Base-Base interactions energy: -825.996 where: short stacking energy: -339.230 Base-Backbone interact. energy: -1.001 local terms energy: -371.234822 where: bonds (distance) C4'-P energy: -64.541 bonds (distance) P-C4' energy: -73.063 flat angles C4'-P-C4' energy: -87.977 flat angles P-C4'-P energy: -49.706 tors. eta vs tors. theta energy: -95.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1091.738625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.738625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.738625 (E_RNA) where: Base-Base interactions energy: -737.345 where: short stacking energy: -319.536 Base-Backbone interact. energy: -2.385 local terms energy: -352.008801 where: bonds (distance) C4'-P energy: -58.884 bonds (distance) P-C4' energy: -71.156 flat angles C4'-P-C4' energy: -76.638 flat angles P-C4'-P energy: -53.553 tors. eta vs tors. theta energy: -91.778 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: 4 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1003.932084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.932084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.932084 (E_RNA) where: Base-Base interactions energy: -652.125 where: short stacking energy: -291.083 Base-Backbone interact. energy: -2.777 local terms energy: -349.030234 where: bonds (distance) C4'-P energy: -64.628 bonds (distance) P-C4' energy: -77.932 flat angles C4'-P-C4' energy: -77.514 flat angles P-C4'-P energy: -53.161 tors. eta vs tors. theta energy: -75.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -834.999302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.999302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.999302 (E_RNA) where: Base-Base interactions energy: -550.794 where: short stacking energy: -235.291 Base-Backbone interact. energy: -0.960 local terms energy: -283.245085 where: bonds (distance) C4'-P energy: -64.081 bonds (distance) P-C4' energy: -58.090 flat angles C4'-P-C4' energy: -65.301 flat angles P-C4'-P energy: -40.324 tors. eta vs tors. theta energy: -55.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -757.794498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.794498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.794498 (E_RNA) where: Base-Base interactions energy: -478.817 where: short stacking energy: -237.644 Base-Backbone interact. energy: -0.494 local terms energy: -278.483005 where: bonds (distance) C4'-P energy: -59.707 bonds (distance) P-C4' energy: -65.171 flat angles C4'-P-C4' energy: -63.781 flat angles P-C4'-P energy: -45.604 tors. eta vs tors. theta energy: -44.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -590.856815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.856815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.856815 (E_RNA) where: Base-Base interactions energy: -365.625 where: short stacking energy: -180.009 Base-Backbone interact. energy: 0.693 local terms energy: -225.924755 where: bonds (distance) C4'-P energy: -65.141 bonds (distance) P-C4' energy: -63.816 flat angles C4'-P-C4' energy: -49.660 flat angles P-C4'-P energy: -30.998 tors. eta vs tors. theta energy: -16.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1432.096864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.096864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.096864 (E_RNA) where: Base-Base interactions energy: -1008.854 where: short stacking energy: -440.734 Base-Backbone interact. energy: -2.776 local terms energy: -420.466518 where: bonds (distance) C4'-P energy: -70.333 bonds (distance) P-C4' energy: -70.740 flat angles C4'-P-C4' energy: -92.767 flat angles P-C4'-P energy: -57.320 tors. eta vs tors. theta energy: -129.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1368.049481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.049481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.049481 (E_RNA) where: Base-Base interactions energy: -958.644 where: short stacking energy: -404.784 Base-Backbone interact. energy: -1.497 local terms energy: -407.907698 where: bonds (distance) C4'-P energy: -72.297 bonds (distance) P-C4' energy: -75.383 flat angles C4'-P-C4' energy: -87.818 flat angles P-C4'-P energy: -58.985 tors. eta vs tors. theta energy: -113.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1315.488893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.488893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.488893 (E_RNA) where: Base-Base interactions energy: -919.378 where: short stacking energy: -384.559 Base-Backbone interact. energy: -0.404 local terms energy: -395.706764 where: bonds (distance) C4'-P energy: -81.487 bonds (distance) P-C4' energy: -72.360 flat angles C4'-P-C4' energy: -81.600 flat angles P-C4'-P energy: -56.620 tors. eta vs tors. theta energy: -103.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1189.501452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.501452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.501452 (E_RNA) where: Base-Base interactions energy: -827.158 where: short stacking energy: -341.974 Base-Backbone interact. energy: -1.899 local terms energy: -360.444096 where: bonds (distance) C4'-P energy: -66.440 bonds (distance) P-C4' energy: -72.343 flat angles C4'-P-C4' energy: -81.798 flat angles P-C4'-P energy: -44.532 tors. eta vs tors. theta energy: -95.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1199.045204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.045204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.045204 (E_RNA) where: Base-Base interactions energy: -827.247 where: short stacking energy: -358.840 Base-Backbone interact. energy: -1.887 local terms energy: -369.911626 where: bonds (distance) C4'-P energy: -63.791 bonds (distance) P-C4' energy: -78.138 flat angles C4'-P-C4' energy: -72.800 flat angles P-C4'-P energy: -55.846 tors. eta vs tors. theta energy: -99.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1069.994444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.994444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.994444 (E_RNA) where: Base-Base interactions energy: -724.876 where: short stacking energy: -312.615 Base-Backbone interact. energy: -0.996 local terms energy: -344.122789 where: bonds (distance) C4'-P energy: -61.572 bonds (distance) P-C4' energy: -73.212 flat angles C4'-P-C4' energy: -73.121 flat angles P-C4'-P energy: -52.307 tors. eta vs tors. theta energy: -83.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -946.882779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.882779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.882779 (E_RNA) where: Base-Base interactions energy: -646.401 where: short stacking energy: -277.863 Base-Backbone interact. energy: -0.900 local terms energy: -299.582242 where: bonds (distance) C4'-P energy: -59.414 bonds (distance) P-C4' energy: -69.120 flat angles C4'-P-C4' energy: -74.314 flat angles P-C4'-P energy: -39.413 tors. eta vs tors. theta energy: -57.320 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: 7 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -836.303456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.303456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.303456 (E_RNA) where: Base-Base interactions energy: -546.520 where: short stacking energy: -257.030 Base-Backbone interact. energy: -1.532 local terms energy: -288.251248 where: bonds (distance) C4'-P energy: -48.123 bonds (distance) P-C4' energy: -55.130 flat angles C4'-P-C4' energy: -81.622 flat angles P-C4'-P energy: -42.012 tors. eta vs tors. theta energy: -61.364 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: 301 Temperature: 1.300000 Total energy: -656.325036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.325036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.325036 (E_RNA) where: Base-Base interactions energy: -405.343 where: short stacking energy: -181.372 Base-Backbone interact. energy: 0.519 local terms energy: -251.500978 where: bonds (distance) C4'-P energy: -54.522 bonds (distance) P-C4' energy: -69.350 flat angles C4'-P-C4' energy: -67.965 flat angles P-C4'-P energy: -35.358 tors. eta vs tors. theta energy: -24.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -528.103021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.103021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.103021 (E_RNA) where: Base-Base interactions energy: -282.860 where: short stacking energy: -143.524 Base-Backbone interact. energy: 2.058 local terms energy: -247.301347 where: bonds (distance) C4'-P energy: -61.559 bonds (distance) P-C4' energy: -75.402 flat angles C4'-P-C4' energy: -66.200 flat angles P-C4'-P energy: -32.500 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: 9 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1446.663147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.663147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.663147 (E_RNA) where: Base-Base interactions energy: -994.563 where: short stacking energy: -440.062 Base-Backbone interact. energy: -2.040 local terms energy: -450.060158 where: bonds (distance) C4'-P energy: -78.953 bonds (distance) P-C4' energy: -86.319 flat angles C4'-P-C4' energy: -94.662 flat angles P-C4'-P energy: -60.121 tors. eta vs tors. theta energy: -130.005 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: 2, replica: 10 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1365.637099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.637099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.637099 (E_RNA) where: Base-Base interactions energy: -941.898 where: short stacking energy: -400.024 Base-Backbone interact. energy: 2.917 local terms energy: -426.656085 where: bonds (distance) C4'-P energy: -75.461 bonds (distance) P-C4' energy: -85.368 flat angles C4'-P-C4' energy: -91.530 flat angles P-C4'-P energy: -64.473 tors. eta vs tors. theta energy: -109.825 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: 6 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1332.014504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.014504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.014504 (E_RNA) where: Base-Base interactions energy: -942.326 where: short stacking energy: -380.130 Base-Backbone interact. energy: -2.263 local terms energy: -387.425632 where: bonds (distance) C4'-P energy: -69.760 bonds (distance) P-C4' energy: -76.613 flat angles C4'-P-C4' energy: -85.606 flat angles P-C4'-P energy: -53.534 tors. eta vs tors. theta energy: -101.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1185.640272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.640272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.640272 (E_RNA) where: Base-Base interactions energy: -816.076 where: short stacking energy: -332.397 Base-Backbone interact. energy: -2.906 local terms energy: -366.658168 where: bonds (distance) C4'-P energy: -67.069 bonds (distance) P-C4' energy: -66.618 flat angles C4'-P-C4' energy: -90.294 flat angles P-C4'-P energy: -43.559 tors. eta vs tors. theta energy: -99.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1196.611762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.611762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.611762 (E_RNA) where: Base-Base interactions energy: -837.848 where: short stacking energy: -341.958 Base-Backbone interact. energy: -0.793 local terms energy: -357.970693 where: bonds (distance) C4'-P energy: -68.716 bonds (distance) P-C4' energy: -61.021 flat angles C4'-P-C4' energy: -76.281 flat angles P-C4'-P energy: -50.071 tors. eta vs tors. theta energy: -101.882 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: 6, replica: 5 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1028.663199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.663199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.663199 (E_RNA) where: Base-Base interactions energy: -672.038 where: short stacking energy: -279.857 Base-Backbone interact. energy: 5.309 local terms energy: -361.934488 where: bonds (distance) C4'-P energy: -80.553 bonds (distance) P-C4' energy: -72.165 flat angles C4'-P-C4' energy: -76.061 flat angles P-C4'-P energy: -51.017 tors. eta vs tors. theta energy: -82.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -990.452414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.452414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.452414 (E_RNA) where: Base-Base interactions energy: -648.543 where: short stacking energy: -295.252 Base-Backbone interact. energy: 1.436 local terms energy: -343.344910 where: bonds (distance) C4'-P energy: -60.446 bonds (distance) P-C4' energy: -82.066 flat angles C4'-P-C4' energy: -76.513 flat angles P-C4'-P energy: -52.773 tors. eta vs tors. theta energy: -71.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -830.758296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.758296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.758296 (E_RNA) where: Base-Base interactions energy: -528.947 where: short stacking energy: -248.270 Base-Backbone interact. energy: 6.031 local terms energy: -307.842456 where: bonds (distance) C4'-P energy: -71.966 bonds (distance) P-C4' energy: -59.958 flat angles C4'-P-C4' energy: -75.607 flat angles P-C4'-P energy: -48.301 tors. eta vs tors. theta energy: -52.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -640.989546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.989546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.989546 (E_RNA) where: Base-Base interactions energy: -393.395 where: short stacking energy: -182.621 Base-Backbone interact. energy: -1.244 local terms energy: -246.350430 where: bonds (distance) C4'-P energy: -74.394 bonds (distance) P-C4' energy: -60.826 flat angles C4'-P-C4' energy: -50.671 flat angles P-C4'-P energy: -41.189 tors. eta vs tors. theta energy: -19.269 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: 2 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -565.271726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.271726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.271726 (E_RNA) where: Base-Base interactions energy: -326.126 where: short stacking energy: -166.001 Base-Backbone interact. energy: 6.754 local terms energy: -245.899128 where: bonds (distance) C4'-P energy: -62.084 bonds (distance) P-C4' energy: -68.816 flat angles C4'-P-C4' energy: -51.230 flat angles P-C4'-P energy: -47.883 tors. eta vs tors. theta energy: -15.885 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: 1, replica: 9 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1422.499837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.499837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.499837 (E_RNA) where: Base-Base interactions energy: -989.453 where: short stacking energy: -446.790 Base-Backbone interact. energy: -1.306 local terms energy: -431.740867 where: bonds (distance) C4'-P energy: -78.028 bonds (distance) P-C4' energy: -73.319 flat angles C4'-P-C4' energy: -95.360 flat angles P-C4'-P energy: -63.047 tors. eta vs tors. theta energy: -121.987 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: 2, replica: 10 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1371.903637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.903637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.903637 (E_RNA) where: Base-Base interactions energy: -950.866 where: short stacking energy: -418.048 Base-Backbone interact. energy: 0.599 local terms energy: -421.636786 where: bonds (distance) C4'-P energy: -76.517 bonds (distance) P-C4' energy: -83.651 flat angles C4'-P-C4' energy: -87.304 flat angles P-C4'-P energy: -56.240 tors. eta vs tors. theta energy: -117.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1289.801991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.801991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.801991 (E_RNA) where: Base-Base interactions energy: -917.015 where: short stacking energy: -377.498 Base-Backbone interact. energy: -3.845 local terms energy: -368.941509 where: bonds (distance) C4'-P energy: -56.536 bonds (distance) P-C4' energy: -73.281 flat angles C4'-P-C4' energy: -84.042 flat angles P-C4'-P energy: -53.195 tors. eta vs tors. theta energy: -101.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1219.714716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.714716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.714716 (E_RNA) where: Base-Base interactions energy: -864.415 where: short stacking energy: -374.772 Base-Backbone interact. energy: -3.598 local terms energy: -351.701419 where: bonds (distance) C4'-P energy: -65.789 bonds (distance) P-C4' energy: -71.071 flat angles C4'-P-C4' energy: -78.775 flat angles P-C4'-P energy: -35.303 tors. eta vs tors. theta energy: -100.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1177.112414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.112414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.112414 (E_RNA) where: Base-Base interactions energy: -814.379 where: short stacking energy: -338.724 Base-Backbone interact. energy: -0.811 local terms energy: -361.922198 where: bonds (distance) C4'-P energy: -74.061 bonds (distance) P-C4' energy: -73.064 flat angles C4'-P-C4' energy: -74.078 flat angles P-C4'-P energy: -50.962 tors. eta vs tors. theta energy: -89.757 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: 6, replica: 5 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1079.333556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.333556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.333556 (E_RNA) where: Base-Base interactions energy: -733.934 where: short stacking energy: -319.409 Base-Backbone interact. energy: -1.936 local terms energy: -343.463495 where: bonds (distance) C4'-P energy: -54.936 bonds (distance) P-C4' energy: -66.469 flat angles C4'-P-C4' energy: -77.244 flat angles P-C4'-P energy: -54.898 tors. eta vs tors. theta energy: -89.917 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: 4 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -928.809183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.809183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.809183 (E_RNA) where: Base-Base interactions energy: -623.195 where: short stacking energy: -283.181 Base-Backbone interact. energy: -2.347 local terms energy: -303.267031 where: bonds (distance) C4'-P energy: -54.528 bonds (distance) P-C4' energy: -58.446 flat angles C4'-P-C4' energy: -75.698 flat angles P-C4'-P energy: -49.617 tors. eta vs tors. theta energy: -64.978 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: 7 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -800.327463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.327463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.327463 (E_RNA) where: Base-Base interactions energy: -488.119 where: short stacking energy: -237.935 Base-Backbone interact. energy: 0.002 local terms energy: -312.210984 where: bonds (distance) C4'-P energy: -63.644 bonds (distance) P-C4' energy: -65.155 flat angles C4'-P-C4' energy: -79.537 flat angles P-C4'-P energy: -42.247 tors. eta vs tors. theta energy: -61.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -618.680834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.680834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.680834 (E_RNA) where: Base-Base interactions energy: -366.103 where: short stacking energy: -168.976 Base-Backbone interact. energy: 0.230 local terms energy: -252.807568 where: bonds (distance) C4'-P energy: -57.297 bonds (distance) P-C4' energy: -55.769 flat angles C4'-P-C4' energy: -77.892 flat angles P-C4'-P energy: -45.767 tors. eta vs tors. theta energy: -16.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -573.244885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.244885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.244885 (E_RNA) where: Base-Base interactions energy: -331.971 where: short stacking energy: -164.299 Base-Backbone interact. energy: -1.089 local terms energy: -240.185352 where: bonds (distance) C4'-P energy: -62.478 bonds (distance) P-C4' energy: -61.473 flat angles C4'-P-C4' energy: -67.518 flat angles P-C4'-P energy: -41.270 tors. eta vs tors. theta energy: -7.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1387.476791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.476791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.476791 (E_RNA) where: Base-Base interactions energy: -965.769 where: short stacking energy: -402.720 Base-Backbone interact. energy: -1.223 local terms energy: -420.484982 where: bonds (distance) C4'-P energy: -80.771 bonds (distance) P-C4' energy: -83.761 flat angles C4'-P-C4' energy: -83.689 flat angles P-C4'-P energy: -59.141 tors. eta vs tors. theta energy: -113.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1407.880143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.880143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.880143 (E_RNA) where: Base-Base interactions energy: -971.371 where: short stacking energy: -438.207 Base-Backbone interact. energy: -0.733 local terms energy: -435.775868 where: bonds (distance) C4'-P energy: -75.386 bonds (distance) P-C4' energy: -75.687 flat angles C4'-P-C4' energy: -90.186 flat angles P-C4'-P energy: -62.709 tors. eta vs tors. theta energy: -131.808 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: 6 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1303.214839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.214839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.214839 (E_RNA) where: Base-Base interactions energy: -917.649 where: short stacking energy: -375.763 Base-Backbone interact. energy: 0.546 local terms energy: -386.111237 where: bonds (distance) C4'-P energy: -69.640 bonds (distance) P-C4' energy: -71.384 flat angles C4'-P-C4' energy: -81.314 flat angles P-C4'-P energy: -58.611 tors. eta vs tors. theta energy: -105.162 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: 4, replica: 8 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1225.020487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.020487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.020487 (E_RNA) where: Base-Base interactions energy: -839.749 where: short stacking energy: -350.737 Base-Backbone interact. energy: 2.529 local terms energy: -387.800576 where: bonds (distance) C4'-P energy: -73.223 bonds (distance) P-C4' energy: -74.013 flat angles C4'-P-C4' energy: -82.824 flat angles P-C4'-P energy: -56.717 tors. eta vs tors. theta energy: -101.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1167.345990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.345990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.345990 (E_RNA) where: Base-Base interactions energy: -783.375 where: short stacking energy: -353.198 Base-Backbone interact. energy: 3.596 local terms energy: -387.567182 where: bonds (distance) C4'-P energy: -72.934 bonds (distance) P-C4' energy: -68.298 flat angles C4'-P-C4' energy: -83.172 flat angles P-C4'-P energy: -56.434 tors. eta vs tors. theta energy: -106.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1159.022106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.022106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.022106 (E_RNA) where: Base-Base interactions energy: -802.591 where: short stacking energy: -360.790 Base-Backbone interact. energy: 2.105 local terms energy: -358.535858 where: bonds (distance) C4'-P energy: -73.104 bonds (distance) P-C4' energy: -53.468 flat angles C4'-P-C4' energy: -78.693 flat angles P-C4'-P energy: -57.977 tors. eta vs tors. theta energy: -95.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -933.696342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.696342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.696342 (E_RNA) where: Base-Base interactions energy: -599.498 where: short stacking energy: -286.015 Base-Backbone interact. energy: -0.691 local terms energy: -333.507635 where: bonds (distance) C4'-P energy: -59.793 bonds (distance) P-C4' energy: -72.075 flat angles C4'-P-C4' energy: -86.306 flat angles P-C4'-P energy: -43.804 tors. eta vs tors. theta energy: -71.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -803.564851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.564851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.564851 (E_RNA) where: Base-Base interactions energy: -513.220 where: short stacking energy: -249.767 Base-Backbone interact. energy: 0.485 local terms energy: -290.830400 where: bonds (distance) C4'-P energy: -65.453 bonds (distance) P-C4' energy: -67.934 flat angles C4'-P-C4' energy: -67.285 flat angles P-C4'-P energy: -33.689 tors. eta vs tors. theta energy: -56.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -634.614866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.614866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.614866 (E_RNA) where: Base-Base interactions energy: -368.925 where: short stacking energy: -195.988 Base-Backbone interact. energy: 0.862 local terms energy: -266.551255 where: bonds (distance) C4'-P energy: -57.778 bonds (distance) P-C4' energy: -57.691 flat angles C4'-P-C4' energy: -63.189 flat angles P-C4'-P energy: -56.527 tors. eta vs tors. theta energy: -31.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -567.317387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.317387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.317387 (E_RNA) where: Base-Base interactions energy: -317.431 where: short stacking energy: -142.501 Base-Backbone interact. energy: 1.043 local terms energy: -250.930135 where: bonds (distance) C4'-P energy: -69.344 bonds (distance) P-C4' energy: -65.643 flat angles C4'-P-C4' energy: -77.946 flat angles P-C4'-P energy: -23.518 tors. eta vs tors. theta energy: -14.480 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: 305 Temperature: 0.900000 Total energy: -1394.683946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.683946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.683946 (E_RNA) where: Base-Base interactions energy: -969.706 where: short stacking energy: -413.236 Base-Backbone interact. energy: -0.841 local terms energy: -424.136413 where: bonds (distance) C4'-P energy: -70.209 bonds (distance) P-C4' energy: -79.233 flat angles C4'-P-C4' energy: -97.158 flat angles P-C4'-P energy: -62.584 tors. eta vs tors. theta energy: -114.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1407.533522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.533522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.533522 (E_RNA) where: Base-Base interactions energy: -985.516 where: short stacking energy: -408.221 Base-Backbone interact. energy: 0.353 local terms energy: -422.370418 where: bonds (distance) C4'-P energy: -73.094 bonds (distance) P-C4' energy: -80.416 flat angles C4'-P-C4' energy: -88.132 flat angles P-C4'-P energy: -58.108 tors. eta vs tors. theta energy: -122.620 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: 3, replica: 6 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1284.982030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.982030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.982030 (E_RNA) where: Base-Base interactions energy: -895.313 where: short stacking energy: -381.517 Base-Backbone interact. energy: 1.403 local terms energy: -391.071893 where: bonds (distance) C4'-P energy: -77.859 bonds (distance) P-C4' energy: -72.293 flat angles C4'-P-C4' energy: -77.112 flat angles P-C4'-P energy: -59.313 tors. eta vs tors. theta energy: -104.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1213.267453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.267453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.267453 (E_RNA) where: Base-Base interactions energy: -827.863 where: short stacking energy: -332.435 Base-Backbone interact. energy: -0.877 local terms energy: -384.527032 where: bonds (distance) C4'-P energy: -79.636 bonds (distance) P-C4' energy: -75.409 flat angles C4'-P-C4' energy: -85.268 flat angles P-C4'-P energy: -54.353 tors. eta vs tors. theta energy: -89.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1133.303463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.303463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.303463 (E_RNA) where: Base-Base interactions energy: -793.887 where: short stacking energy: -326.517 Base-Backbone interact. energy: -2.115 local terms energy: -337.301474 where: bonds (distance) C4'-P energy: -63.983 bonds (distance) P-C4' energy: -64.485 flat angles C4'-P-C4' energy: -76.921 flat angles P-C4'-P energy: -51.421 tors. eta vs tors. theta energy: -80.492 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: 5 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1127.547158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.547158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.547158 (E_RNA) where: Base-Base interactions energy: -790.347 where: short stacking energy: -337.355 Base-Backbone interact. energy: -1.130 local terms energy: -336.069614 where: bonds (distance) C4'-P energy: -74.592 bonds (distance) P-C4' energy: -75.043 flat angles C4'-P-C4' energy: -64.950 flat angles P-C4'-P energy: -35.975 tors. eta vs tors. theta energy: -85.510 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: 4 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -952.794557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.794557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.794557 (E_RNA) where: Base-Base interactions energy: -639.758 where: short stacking energy: -278.071 Base-Backbone interact. energy: -1.889 local terms energy: -311.148110 where: bonds (distance) C4'-P energy: -71.428 bonds (distance) P-C4' energy: -65.713 flat angles C4'-P-C4' energy: -60.469 flat angles P-C4'-P energy: -57.237 tors. eta vs tors. theta energy: -56.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -800.018287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.018287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.018287 (E_RNA) where: Base-Base interactions energy: -510.078 where: short stacking energy: -237.996 Base-Backbone interact. energy: -0.428 local terms energy: -289.512597 where: bonds (distance) C4'-P energy: -63.418 bonds (distance) P-C4' energy: -64.543 flat angles C4'-P-C4' energy: -74.334 flat angles P-C4'-P energy: -35.626 tors. eta vs tors. theta energy: -51.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -655.373681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.373681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.373681 (E_RNA) where: Base-Base interactions energy: -401.573 where: short stacking energy: -200.307 Base-Backbone interact. energy: 0.779 local terms energy: -254.579775 where: bonds (distance) C4'-P energy: -55.076 bonds (distance) P-C4' energy: -60.746 flat angles C4'-P-C4' energy: -72.248 flat angles P-C4'-P energy: -38.995 tors. eta vs tors. theta energy: -27.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -559.154304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.154304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.154304 (E_RNA) where: Base-Base interactions energy: -329.519 where: short stacking energy: -154.569 Base-Backbone interact. energy: -0.678 local terms energy: -228.958202 where: bonds (distance) C4'-P energy: -62.367 bonds (distance) P-C4' energy: -71.456 flat angles C4'-P-C4' energy: -53.538 flat angles P-C4'-P energy: -34.226 tors. eta vs tors. theta energy: -7.372 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: 9 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1432.645262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.645262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.645262 (E_RNA) where: Base-Base interactions energy: -990.139 where: short stacking energy: -444.503 Base-Backbone interact. energy: -2.598 local terms energy: -439.908232 where: bonds (distance) C4'-P energy: -72.187 bonds (distance) P-C4' energy: -76.121 flat angles C4'-P-C4' energy: -93.774 flat angles P-C4'-P energy: -64.782 tors. eta vs tors. theta energy: -133.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1391.759268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.759268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.759268 (E_RNA) where: Base-Base interactions energy: -957.448 where: short stacking energy: -412.476 Base-Backbone interact. energy: -1.243 local terms energy: -433.068685 where: bonds (distance) C4'-P energy: -73.357 bonds (distance) P-C4' energy: -82.808 flat angles C4'-P-C4' energy: -83.909 flat angles P-C4'-P energy: -68.854 tors. eta vs tors. theta energy: -124.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1323.444692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.444692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.444692 (E_RNA) where: Base-Base interactions energy: -919.075 where: short stacking energy: -396.090 Base-Backbone interact. energy: -0.781 local terms energy: -403.588347 where: bonds (distance) C4'-P energy: -73.140 bonds (distance) P-C4' energy: -72.139 flat angles C4'-P-C4' energy: -88.270 flat angles P-C4'-P energy: -51.408 tors. eta vs tors. theta energy: -118.633 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: 4, replica: 8 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1209.536210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.536210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.536210 (E_RNA) where: Base-Base interactions energy: -821.047 where: short stacking energy: -346.559 Base-Backbone interact. energy: 0.318 local terms energy: -388.806704 where: bonds (distance) C4'-P energy: -73.996 bonds (distance) P-C4' energy: -78.085 flat angles C4'-P-C4' energy: -81.798 flat angles P-C4'-P energy: -55.316 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: 5, replica: 3 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1167.073522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.073522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.073522 (E_RNA) where: Base-Base interactions energy: -806.219 where: short stacking energy: -340.824 Base-Backbone interact. energy: 1.085 local terms energy: -361.939839 where: bonds (distance) C4'-P energy: -57.145 bonds (distance) P-C4' energy: -71.978 flat angles C4'-P-C4' energy: -88.609 flat angles P-C4'-P energy: -47.620 tors. eta vs tors. theta energy: -96.588 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: 5 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1195.437927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.437927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.437927 (E_RNA) where: Base-Base interactions energy: -828.777 where: short stacking energy: -333.839 Base-Backbone interact. energy: -1.421 local terms energy: -365.239764 where: bonds (distance) C4'-P energy: -63.559 bonds (distance) P-C4' energy: -67.259 flat angles C4'-P-C4' energy: -72.470 flat angles P-C4'-P energy: -59.112 tors. eta vs tors. theta energy: -102.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -926.027864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.027864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.027864 (E_RNA) where: Base-Base interactions energy: -605.739 where: short stacking energy: -266.116 Base-Backbone interact. energy: -1.980 local terms energy: -318.308727 where: bonds (distance) C4'-P energy: -66.450 bonds (distance) P-C4' energy: -52.953 flat angles C4'-P-C4' energy: -81.942 flat angles P-C4'-P energy: -47.365 tors. eta vs tors. theta energy: -69.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -808.746966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.746966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.746966 (E_RNA) where: Base-Base interactions energy: -533.748 where: short stacking energy: -238.118 Base-Backbone interact. energy: -2.766 local terms energy: -272.232900 where: bonds (distance) C4'-P energy: -50.826 bonds (distance) P-C4' energy: -65.252 flat angles C4'-P-C4' energy: -75.261 flat angles P-C4'-P energy: -44.678 tors. eta vs tors. theta energy: -36.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -657.810467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.810467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.810467 (E_RNA) where: Base-Base interactions energy: -397.928 where: short stacking energy: -197.509 Base-Backbone interact. energy: -2.939 local terms energy: -256.943468 where: bonds (distance) C4'-P energy: -56.719 bonds (distance) P-C4' energy: -75.942 flat angles C4'-P-C4' energy: -57.122 flat angles P-C4'-P energy: -39.384 tors. eta vs tors. theta energy: -27.777 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: 2 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -549.851121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.851121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.851121 (E_RNA) where: Base-Base interactions energy: -300.104 where: short stacking energy: -151.420 Base-Backbone interact. energy: -0.473 local terms energy: -249.274225 where: bonds (distance) C4'-P energy: -65.900 bonds (distance) P-C4' energy: -64.087 flat angles C4'-P-C4' energy: -63.489 flat angles P-C4'-P energy: -42.284 tors. eta vs tors. theta energy: -13.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1436.138494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.138494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.138494 (E_RNA) where: Base-Base interactions energy: -993.163 where: short stacking energy: -448.639 Base-Backbone interact. energy: -1.147 local terms energy: -441.828020 where: bonds (distance) C4'-P energy: -73.208 bonds (distance) P-C4' energy: -82.757 flat angles C4'-P-C4' energy: -88.232 flat angles P-C4'-P energy: -61.704 tors. eta vs tors. theta energy: -135.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1387.427225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.427225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.427225 (E_RNA) where: Base-Base interactions energy: -973.994 where: short stacking energy: -402.807 Base-Backbone interact. energy: -2.440 local terms energy: -410.992768 where: bonds (distance) C4'-P energy: -77.651 bonds (distance) P-C4' energy: -59.728 flat angles C4'-P-C4' energy: -90.267 flat angles P-C4'-P energy: -60.250 tors. eta vs tors. theta energy: -123.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1310.925718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.925718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.925718 (E_RNA) where: Base-Base interactions energy: -905.683 where: short stacking energy: -383.757 Base-Backbone interact. energy: -2.680 local terms energy: -402.563281 where: bonds (distance) C4'-P energy: -72.700 bonds (distance) P-C4' energy: -71.521 flat angles C4'-P-C4' energy: -84.479 flat angles P-C4'-P energy: -58.361 tors. eta vs tors. theta energy: -115.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1215.050647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.050647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.050647 (E_RNA) where: Base-Base interactions energy: -837.150 where: short stacking energy: -358.270 Base-Backbone interact. energy: -0.783 local terms energy: -377.118416 where: bonds (distance) C4'-P energy: -77.406 bonds (distance) P-C4' energy: -74.833 flat angles C4'-P-C4' energy: -73.582 flat angles P-C4'-P energy: -55.817 tors. eta vs tors. theta energy: -95.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1174.319759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.319759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.319759 (E_RNA) where: Base-Base interactions energy: -782.617 where: short stacking energy: -345.013 Base-Backbone interact. energy: -1.689 local terms energy: -390.013470 where: bonds (distance) C4'-P energy: -70.740 bonds (distance) P-C4' energy: -76.290 flat angles C4'-P-C4' energy: -91.149 flat angles P-C4'-P energy: -54.919 tors. eta vs tors. theta energy: -96.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1181.025756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.025756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.025756 (E_RNA) where: Base-Base interactions energy: -820.285 where: short stacking energy: -352.459 Base-Backbone interact. energy: -0.909 local terms energy: -359.832198 where: bonds (distance) C4'-P energy: -63.173 bonds (distance) P-C4' energy: -74.487 flat angles C4'-P-C4' energy: -78.507 flat angles P-C4'-P energy: -40.872 tors. eta vs tors. theta energy: -102.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -930.793004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.793004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.793004 (E_RNA) where: Base-Base interactions energy: -631.156 where: short stacking energy: -289.105 Base-Backbone interact. energy: 1.467 local terms energy: -301.103077 where: bonds (distance) C4'-P energy: -67.119 bonds (distance) P-C4' energy: -62.807 flat angles C4'-P-C4' energy: -68.997 flat angles P-C4'-P energy: -45.429 tors. eta vs tors. theta energy: -56.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -827.967642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.967642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.967642 (E_RNA) where: Base-Base interactions energy: -551.135 where: short stacking energy: -262.121 Base-Backbone interact. energy: -1.974 local terms energy: -274.858630 where: bonds (distance) C4'-P energy: -51.822 bonds (distance) P-C4' energy: -56.611 flat angles C4'-P-C4' energy: -70.498 flat angles P-C4'-P energy: -46.070 tors. eta vs tors. theta energy: -49.858 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: 1 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -673.577751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.577751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.577751 (E_RNA) where: Base-Base interactions energy: -406.669 where: short stacking energy: -193.352 Base-Backbone interact. energy: 1.333 local terms energy: -268.242738 where: bonds (distance) C4'-P energy: -65.219 bonds (distance) P-C4' energy: -77.875 flat angles C4'-P-C4' energy: -54.987 flat angles P-C4'-P energy: -41.509 tors. eta vs tors. theta energy: -28.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -543.008147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.008147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.008147 (E_RNA) where: Base-Base interactions energy: -292.167 where: short stacking energy: -137.870 Base-Backbone interact. energy: 0.739 local terms energy: -251.580475 where: bonds (distance) C4'-P energy: -62.960 bonds (distance) P-C4' energy: -79.778 flat angles C4'-P-C4' energy: -64.893 flat angles P-C4'-P energy: -43.134 tors. eta vs tors. theta energy: -0.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1438.950380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.950380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.950380 (E_RNA) where: Base-Base interactions energy: -1001.846 where: short stacking energy: -420.734 Base-Backbone interact. energy: -1.611 local terms energy: -435.493429 where: bonds (distance) C4'-P energy: -72.056 bonds (distance) P-C4' energy: -77.992 flat angles C4'-P-C4' energy: -91.097 flat angles P-C4'-P energy: -62.383 tors. eta vs tors. theta energy: -131.965 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: 308 Temperature: 0.950000 Total energy: -1383.020309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.020309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.020309 (E_RNA) where: Base-Base interactions energy: -948.600 where: short stacking energy: -405.393 Base-Backbone interact. energy: 1.064 local terms energy: -435.484415 where: bonds (distance) C4'-P energy: -81.267 bonds (distance) P-C4' energy: -78.299 flat angles C4'-P-C4' energy: -84.621 flat angles P-C4'-P energy: -64.863 tors. eta vs tors. theta energy: -126.435 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: 3, replica: 6 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1318.375449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.375449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.375449 (E_RNA) where: Base-Base interactions energy: -911.484 where: short stacking energy: -383.623 Base-Backbone interact. energy: -2.617 local terms energy: -404.273665 where: bonds (distance) C4'-P energy: -66.009 bonds (distance) P-C4' energy: -77.938 flat angles C4'-P-C4' energy: -85.556 flat angles P-C4'-P energy: -55.955 tors. eta vs tors. theta energy: -118.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1271.584384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.584384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.584384 (E_RNA) where: Base-Base interactions energy: -905.239 where: short stacking energy: -373.347 Base-Backbone interact. energy: 1.797 local terms energy: -368.142161 where: bonds (distance) C4'-P energy: -66.415 bonds (distance) P-C4' energy: -74.897 flat angles C4'-P-C4' energy: -76.622 flat angles P-C4'-P energy: -55.995 tors. eta vs tors. theta energy: -94.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1205.093199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.093199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.093199 (E_RNA) where: Base-Base interactions energy: -816.948 where: short stacking energy: -370.676 Base-Backbone interact. energy: -3.308 local terms energy: -384.837071 where: bonds (distance) C4'-P energy: -58.424 bonds (distance) P-C4' energy: -70.400 flat angles C4'-P-C4' energy: -87.072 flat angles P-C4'-P energy: -62.875 tors. eta vs tors. theta energy: -106.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1139.696263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.696263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.696263 (E_RNA) where: Base-Base interactions energy: -807.153 where: short stacking energy: -334.462 Base-Backbone interact. energy: -1.531 local terms energy: -331.012268 where: bonds (distance) C4'-P energy: -48.900 bonds (distance) P-C4' energy: -65.487 flat angles C4'-P-C4' energy: -81.713 flat angles P-C4'-P energy: -45.774 tors. eta vs tors. theta energy: -89.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -913.624647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.624647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.624647 (E_RNA) where: Base-Base interactions energy: -589.323 where: short stacking energy: -268.419 Base-Backbone interact. energy: -1.704 local terms energy: -322.597591 where: bonds (distance) C4'-P energy: -67.389 bonds (distance) P-C4' energy: -69.988 flat angles C4'-P-C4' energy: -78.423 flat angles P-C4'-P energy: -44.841 tors. eta vs tors. theta energy: -61.957 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: 8, replica: 7 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -823.698417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.698417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.698417 (E_RNA) where: Base-Base interactions energy: -530.259 where: short stacking energy: -241.358 Base-Backbone interact. energy: 2.457 local terms energy: -295.896083 where: bonds (distance) C4'-P energy: -66.683 bonds (distance) P-C4' energy: -71.000 flat angles C4'-P-C4' energy: -62.379 flat angles P-C4'-P energy: -49.529 tors. eta vs tors. theta energy: -46.305 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: 308 Temperature: 1.300000 Total energy: -629.773533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.773533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.773533 (E_RNA) where: Base-Base interactions energy: -372.269 where: short stacking energy: -203.925 Base-Backbone interact. energy: 0.196 local terms energy: -257.701151 where: bonds (distance) C4'-P energy: -69.261 bonds (distance) P-C4' energy: -58.058 flat angles C4'-P-C4' energy: -59.180 flat angles P-C4'-P energy: -52.676 tors. eta vs tors. theta energy: -18.525 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: 10, replica: 2 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -546.338207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.338207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.338207 (E_RNA) where: Base-Base interactions energy: -306.226 where: short stacking energy: -159.464 Base-Backbone interact. energy: 0.122 local terms energy: -240.234314 where: bonds (distance) C4'-P energy: -65.280 bonds (distance) P-C4' energy: -68.337 flat angles C4'-P-C4' energy: -66.066 flat angles P-C4'-P energy: -30.700 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: 1, replica: 9 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1413.964710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.964710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.964710 (E_RNA) where: Base-Base interactions energy: -999.679 where: short stacking energy: -433.453 Base-Backbone interact. energy: -0.635 local terms energy: -413.651323 where: bonds (distance) C4'-P energy: -67.208 bonds (distance) P-C4' energy: -77.380 flat angles C4'-P-C4' energy: -89.851 flat angles P-C4'-P energy: -53.621 tors. eta vs tors. theta energy: -125.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1394.885303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.885303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.885303 (E_RNA) where: Base-Base interactions energy: -965.070 where: short stacking energy: -419.666 Base-Backbone interact. energy: -0.361 local terms energy: -429.454388 where: bonds (distance) C4'-P energy: -83.593 bonds (distance) P-C4' energy: -73.388 flat angles C4'-P-C4' energy: -92.939 flat angles P-C4'-P energy: -58.970 tors. eta vs tors. theta energy: -120.565 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: 6 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1305.700239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.700239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.700239 (E_RNA) where: Base-Base interactions energy: -898.060 where: short stacking energy: -388.137 Base-Backbone interact. energy: -1.670 local terms energy: -405.969809 where: bonds (distance) C4'-P energy: -74.733 bonds (distance) P-C4' energy: -70.080 flat angles C4'-P-C4' energy: -89.874 flat angles P-C4'-P energy: -58.024 tors. eta vs tors. theta energy: -113.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1266.803744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.803744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.803744 (E_RNA) where: Base-Base interactions energy: -899.698 where: short stacking energy: -357.380 Base-Backbone interact. energy: -2.311 local terms energy: -364.794241 where: bonds (distance) C4'-P energy: -58.206 bonds (distance) P-C4' energy: -71.384 flat angles C4'-P-C4' energy: -85.884 flat angles P-C4'-P energy: -53.675 tors. eta vs tors. theta energy: -95.646 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: 5 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1213.771240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.771240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.771240 (E_RNA) where: Base-Base interactions energy: -826.252 where: short stacking energy: -354.341 Base-Backbone interact. energy: 1.201 local terms energy: -388.720144 where: bonds (distance) C4'-P energy: -78.808 bonds (distance) P-C4' energy: -76.019 flat angles C4'-P-C4' energy: -65.318 flat angles P-C4'-P energy: -62.609 tors. eta vs tors. theta energy: -105.967 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: 6, replica: 3 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1114.216768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.216768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.216768 (E_RNA) where: Base-Base interactions energy: -751.073 where: short stacking energy: -325.454 Base-Backbone interact. energy: -3.889 local terms energy: -359.254507 where: bonds (distance) C4'-P energy: -73.968 bonds (distance) P-C4' energy: -66.003 flat angles C4'-P-C4' energy: -81.597 flat angles P-C4'-P energy: -51.902 tors. eta vs tors. theta energy: -85.785 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: 4 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -909.850201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.850201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.850201 (E_RNA) where: Base-Base interactions energy: -599.440 where: short stacking energy: -273.654 Base-Backbone interact. energy: -1.685 local terms energy: -308.724297 where: bonds (distance) C4'-P energy: -61.253 bonds (distance) P-C4' energy: -69.074 flat angles C4'-P-C4' energy: -64.379 flat angles P-C4'-P energy: -45.863 tors. eta vs tors. theta energy: -68.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -820.800900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.800900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.800900 (E_RNA) where: Base-Base interactions energy: -519.764 where: short stacking energy: -238.708 Base-Backbone interact. energy: 0.135 local terms energy: -301.171938 where: bonds (distance) C4'-P energy: -76.210 bonds (distance) P-C4' energy: -64.921 flat angles C4'-P-C4' energy: -79.688 flat angles P-C4'-P energy: -43.434 tors. eta vs tors. theta energy: -36.919 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: 309 Temperature: 1.300000 Total energy: -623.408284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.408284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.408284 (E_RNA) where: Base-Base interactions energy: -350.616 where: short stacking energy: -168.156 Base-Backbone interact. energy: -4.237 local terms energy: -268.555619 where: bonds (distance) C4'-P energy: -69.841 bonds (distance) P-C4' energy: -67.262 flat angles C4'-P-C4' energy: -60.165 flat angles P-C4'-P energy: -43.336 tors. eta vs tors. theta energy: -27.952 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: 2 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -540.183584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.183584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.183584 (E_RNA) where: Base-Base interactions energy: -318.634 where: short stacking energy: -173.365 Base-Backbone interact. energy: 2.073 local terms energy: -223.622606 where: bonds (distance) C4'-P energy: -49.215 bonds (distance) P-C4' energy: -65.761 flat angles C4'-P-C4' energy: -51.691 flat angles P-C4'-P energy: -34.182 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: 1, replica: 9 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1453.051702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.051702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.051702 (E_RNA) where: Base-Base interactions energy: -1012.087 where: short stacking energy: -432.333 Base-Backbone interact. energy: -2.713 local terms energy: -438.251334 where: bonds (distance) C4'-P energy: -82.139 bonds (distance) P-C4' energy: -66.367 flat angles C4'-P-C4' energy: -91.099 flat angles P-C4'-P energy: -63.536 tors. eta vs tors. theta energy: -135.110 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: 310 Temperature: 0.950000 Total energy: -1373.351958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.351958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.351958 (E_RNA) where: Base-Base interactions energy: -969.288 where: short stacking energy: -405.699 Base-Backbone interact. energy: -1.630 local terms energy: -402.434806 where: bonds (distance) C4'-P energy: -70.580 bonds (distance) P-C4' energy: -78.200 flat angles C4'-P-C4' energy: -74.840 flat angles P-C4'-P energy: -58.408 tors. eta vs tors. theta energy: -120.406 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: 3, replica: 8 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1274.224573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.224573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.224573 (E_RNA) where: Base-Base interactions energy: -865.974 where: short stacking energy: -386.072 Base-Backbone interact. energy: -2.809 local terms energy: -405.441406 where: bonds (distance) C4'-P energy: -82.052 bonds (distance) P-C4' energy: -73.792 flat angles C4'-P-C4' energy: -86.200 flat angles P-C4'-P energy: -56.694 tors. eta vs tors. theta energy: -106.704 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: 4, replica: 6 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1282.962741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.962741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.962741 (E_RNA) where: Base-Base interactions energy: -878.459 where: short stacking energy: -376.735 Base-Backbone interact. energy: 0.069 local terms energy: -404.572759 where: bonds (distance) C4'-P energy: -81.076 bonds (distance) P-C4' energy: -72.338 flat angles C4'-P-C4' energy: -82.086 flat angles P-C4'-P energy: -53.939 tors. eta vs tors. theta energy: -115.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1227.333865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.333865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.333865 (E_RNA) where: Base-Base interactions energy: -819.715 where: short stacking energy: -345.698 Base-Backbone interact. energy: -0.691 local terms energy: -406.927907 where: bonds (distance) C4'-P energy: -71.118 bonds (distance) P-C4' energy: -83.104 flat angles C4'-P-C4' energy: -89.003 flat angles P-C4'-P energy: -57.504 tors. eta vs tors. theta energy: -106.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1097.826341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.826341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.826341 (E_RNA) where: Base-Base interactions energy: -755.319 where: short stacking energy: -316.265 Base-Backbone interact. energy: -1.333 local terms energy: -341.174297 where: bonds (distance) C4'-P energy: -66.819 bonds (distance) P-C4' energy: -61.358 flat angles C4'-P-C4' energy: -77.247 flat angles P-C4'-P energy: -51.191 tors. eta vs tors. theta energy: -84.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -906.338468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.338468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.338468 (E_RNA) where: Base-Base interactions energy: -588.705 where: short stacking energy: -287.455 Base-Backbone interact. energy: -4.962 local terms energy: -312.671247 where: bonds (distance) C4'-P energy: -72.264 bonds (distance) P-C4' energy: -65.211 flat angles C4'-P-C4' energy: -65.206 flat angles P-C4'-P energy: -49.205 tors. eta vs tors. theta energy: -60.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -826.021725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.021725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.021725 (E_RNA) where: Base-Base interactions energy: -539.439 where: short stacking energy: -236.777 Base-Backbone interact. energy: -1.266 local terms energy: -285.317370 where: bonds (distance) C4'-P energy: -65.808 bonds (distance) P-C4' energy: -64.019 flat angles C4'-P-C4' energy: -60.273 flat angles P-C4'-P energy: -42.460 tors. eta vs tors. theta energy: -52.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -670.340433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.340433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.340433 (E_RNA) where: Base-Base interactions energy: -396.138 where: short stacking energy: -192.856 Base-Backbone interact. energy: -0.780 local terms energy: -273.422464 where: bonds (distance) C4'-P energy: -73.413 bonds (distance) P-C4' energy: -78.285 flat angles C4'-P-C4' energy: -61.775 flat angles P-C4'-P energy: -32.119 tors. eta vs tors. theta energy: -27.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -548.944275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.944275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.944275 (E_RNA) where: Base-Base interactions energy: -318.637 where: short stacking energy: -157.146 Base-Backbone interact. energy: 2.994 local terms energy: -233.301516 where: bonds (distance) C4'-P energy: -52.539 bonds (distance) P-C4' energy: -60.173 flat angles C4'-P-C4' energy: -68.448 flat angles P-C4'-P energy: -41.733 tors. eta vs tors. theta energy: -10.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1434.935587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.935587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.935587 (E_RNA) where: Base-Base interactions energy: -997.796 where: short stacking energy: -436.639 Base-Backbone interact. energy: -1.978 local terms energy: -435.161522 where: bonds (distance) C4'-P energy: -78.927 bonds (distance) P-C4' energy: -77.433 flat angles C4'-P-C4' energy: -92.646 flat angles P-C4'-P energy: -58.776 tors. eta vs tors. theta energy: -127.381 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: 311 Temperature: 0.950000 Total energy: -1367.396619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.396619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.396619 (E_RNA) where: Base-Base interactions energy: -940.224 where: short stacking energy: -402.983 Base-Backbone interact. energy: -0.499 local terms energy: -426.674041 where: bonds (distance) C4'-P energy: -79.670 bonds (distance) P-C4' energy: -79.713 flat angles C4'-P-C4' energy: -88.089 flat angles P-C4'-P energy: -62.224 tors. eta vs tors. theta energy: -116.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1270.080289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.080289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.080289 (E_RNA) where: Base-Base interactions energy: -842.507 where: short stacking energy: -357.803 Base-Backbone interact. energy: -1.951 local terms energy: -425.623059 where: bonds (distance) C4'-P energy: -90.426 bonds (distance) P-C4' energy: -78.833 flat angles C4'-P-C4' energy: -93.230 flat angles P-C4'-P energy: -57.260 tors. eta vs tors. theta energy: -105.874 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: 4, replica: 6 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1264.638070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.638070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.638070 (E_RNA) where: Base-Base interactions energy: -850.972 where: short stacking energy: -374.648 Base-Backbone interact. energy: -1.459 local terms energy: -412.207219 where: bonds (distance) C4'-P energy: -68.436 bonds (distance) P-C4' energy: -82.602 flat angles C4'-P-C4' energy: -87.349 flat angles P-C4'-P energy: -52.959 tors. eta vs tors. theta energy: -120.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1208.378785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.378785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.378785 (E_RNA) where: Base-Base interactions energy: -823.410 where: short stacking energy: -356.873 Base-Backbone interact. energy: -1.905 local terms energy: -383.063654 where: bonds (distance) C4'-P energy: -66.395 bonds (distance) P-C4' energy: -79.003 flat angles C4'-P-C4' energy: -81.261 flat angles P-C4'-P energy: -55.425 tors. eta vs tors. theta energy: -100.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1148.884510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.884510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.884510 (E_RNA) where: Base-Base interactions energy: -780.602 where: short stacking energy: -336.875 Base-Backbone interact. energy: -2.006 local terms energy: -366.276501 where: bonds (distance) C4'-P energy: -59.356 bonds (distance) P-C4' energy: -82.507 flat angles C4'-P-C4' energy: -75.903 flat angles P-C4'-P energy: -56.764 tors. eta vs tors. theta energy: -91.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -926.736767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.736767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.736767 (E_RNA) where: Base-Base interactions energy: -604.635 where: short stacking energy: -288.679 Base-Backbone interact. energy: -1.788 local terms energy: -320.314441 where: bonds (distance) C4'-P energy: -60.650 bonds (distance) P-C4' energy: -67.669 flat angles C4'-P-C4' energy: -69.531 flat angles P-C4'-P energy: -56.989 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: 8, replica: 7 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -791.460996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.460996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.460996 (E_RNA) where: Base-Base interactions energy: -496.365 where: short stacking energy: -220.545 Base-Backbone interact. energy: 1.194 local terms energy: -296.289540 where: bonds (distance) C4'-P energy: -68.038 bonds (distance) P-C4' energy: -77.877 flat angles C4'-P-C4' energy: -78.122 flat angles P-C4'-P energy: -21.689 tors. eta vs tors. theta energy: -50.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -620.745334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.745334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.745334 (E_RNA) where: Base-Base interactions energy: -365.073 where: short stacking energy: -190.468 Base-Backbone interact. energy: -1.519 local terms energy: -254.153477 where: bonds (distance) C4'-P energy: -52.203 bonds (distance) P-C4' energy: -73.945 flat angles C4'-P-C4' energy: -68.164 flat angles P-C4'-P energy: -29.516 tors. eta vs tors. theta energy: -30.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -523.548013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.548013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.548013 (E_RNA) where: Base-Base interactions energy: -318.348 where: short stacking energy: -165.417 Base-Backbone interact. energy: -0.807 local terms energy: -204.393126 where: bonds (distance) C4'-P energy: -49.968 bonds (distance) P-C4' energy: -59.458 flat angles C4'-P-C4' energy: -47.556 flat angles P-C4'-P energy: -29.554 tors. eta vs tors. theta energy: -17.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1427.729981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.729981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.729981 (E_RNA) where: Base-Base interactions energy: -971.317 where: short stacking energy: -424.765 Base-Backbone interact. energy: -1.114 local terms energy: -455.299277 where: bonds (distance) C4'-P energy: -79.224 bonds (distance) P-C4' energy: -80.763 flat angles C4'-P-C4' energy: -93.761 flat angles P-C4'-P energy: -69.442 tors. eta vs tors. theta energy: -132.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1371.995463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.995463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.995463 (E_RNA) where: Base-Base interactions energy: -946.581 where: short stacking energy: -405.020 Base-Backbone interact. energy: -0.616 local terms energy: -424.798061 where: bonds (distance) C4'-P energy: -76.148 bonds (distance) P-C4' energy: -80.765 flat angles C4'-P-C4' energy: -89.689 flat angles P-C4'-P energy: -54.792 tors. eta vs tors. theta energy: -123.404 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: 6 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1317.435946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.435946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.435946 (E_RNA) where: Base-Base interactions energy: -915.940 where: short stacking energy: -430.103 Base-Backbone interact. energy: -2.183 local terms energy: -399.312909 where: bonds (distance) C4'-P energy: -64.475 bonds (distance) P-C4' energy: -71.026 flat angles C4'-P-C4' energy: -84.697 flat angles P-C4'-P energy: -58.642 tors. eta vs tors. theta energy: -120.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1250.048634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.048634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.048634 (E_RNA) where: Base-Base interactions energy: -856.487 where: short stacking energy: -376.524 Base-Backbone interact. energy: -0.755 local terms energy: -392.807005 where: bonds (distance) C4'-P energy: -68.193 bonds (distance) P-C4' energy: -79.961 flat angles C4'-P-C4' energy: -83.198 flat angles P-C4'-P energy: -63.145 tors. eta vs tors. theta energy: -98.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1199.343348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.343348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.343348 (E_RNA) where: Base-Base interactions energy: -822.268 where: short stacking energy: -352.112 Base-Backbone interact. energy: -1.217 local terms energy: -375.858275 where: bonds (distance) C4'-P energy: -71.304 bonds (distance) P-C4' energy: -79.779 flat angles C4'-P-C4' energy: -80.300 flat angles P-C4'-P energy: -43.313 tors. eta vs tors. theta energy: -101.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1146.528200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.528200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.528200 (E_RNA) where: Base-Base interactions energy: -776.723 where: short stacking energy: -338.894 Base-Backbone interact. energy: 0.476 local terms energy: -370.280842 where: bonds (distance) C4'-P energy: -71.763 bonds (distance) P-C4' energy: -74.765 flat angles C4'-P-C4' energy: -77.998 flat angles P-C4'-P energy: -50.328 tors. eta vs tors. theta energy: -95.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -954.401885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.401885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.401885 (E_RNA) where: Base-Base interactions energy: -628.860 where: short stacking energy: -289.075 Base-Backbone interact. energy: -1.298 local terms energy: -324.243208 where: bonds (distance) C4'-P energy: -68.776 bonds (distance) P-C4' energy: -70.791 flat angles C4'-P-C4' energy: -69.257 flat angles P-C4'-P energy: -43.386 tors. eta vs tors. theta energy: -72.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -828.366142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.366142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.366142 (E_RNA) where: Base-Base interactions energy: -514.472 where: short stacking energy: -236.035 Base-Backbone interact. energy: 1.205 local terms energy: -315.098855 where: bonds (distance) C4'-P energy: -70.111 bonds (distance) P-C4' energy: -62.378 flat angles C4'-P-C4' energy: -76.532 flat angles P-C4'-P energy: -51.966 tors. eta vs tors. theta energy: -54.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -597.544304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.544304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.544304 (E_RNA) where: Base-Base interactions energy: -341.614 where: short stacking energy: -198.782 Base-Backbone interact. energy: 5.815 local terms energy: -261.745066 where: bonds (distance) C4'-P energy: -58.164 bonds (distance) P-C4' energy: -71.243 flat angles C4'-P-C4' energy: -63.656 flat angles P-C4'-P energy: -39.796 tors. eta vs tors. theta energy: -28.886 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: 2 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -560.516188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.516188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.516188 (E_RNA) where: Base-Base interactions energy: -341.041 where: short stacking energy: -162.292 Base-Backbone interact. energy: -0.098 local terms energy: -219.377307 where: bonds (distance) C4'-P energy: -52.528 bonds (distance) P-C4' energy: -65.958 flat angles C4'-P-C4' energy: -55.359 flat angles P-C4'-P energy: -40.927 tors. eta vs tors. theta energy: -4.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1427.045384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.045384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.045384 (E_RNA) where: Base-Base interactions energy: -975.898 where: short stacking energy: -429.445 Base-Backbone interact. energy: -4.177 local terms energy: -446.970801 where: bonds (distance) C4'-P energy: -80.474 bonds (distance) P-C4' energy: -81.795 flat angles C4'-P-C4' energy: -88.763 flat angles P-C4'-P energy: -70.654 tors. eta vs tors. theta energy: -125.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1359.078880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.078880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.078880 (E_RNA) where: Base-Base interactions energy: -940.539 where: short stacking energy: -398.271 Base-Backbone interact. energy: -0.990 local terms energy: -417.549830 where: bonds (distance) C4'-P energy: -68.649 bonds (distance) P-C4' energy: -79.028 flat angles C4'-P-C4' energy: -90.182 flat angles P-C4'-P energy: -62.511 tors. eta vs tors. theta energy: -117.180 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: 6 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1329.461488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.461488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.461488 (E_RNA) where: Base-Base interactions energy: -922.430 where: short stacking energy: -409.664 Base-Backbone interact. energy: -1.279 local terms energy: -405.752921 where: bonds (distance) C4'-P energy: -71.423 bonds (distance) P-C4' energy: -77.666 flat angles C4'-P-C4' energy: -88.064 flat angles P-C4'-P energy: -45.823 tors. eta vs tors. theta energy: -122.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1242.103883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.103883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.103883 (E_RNA) where: Base-Base interactions energy: -848.309 where: short stacking energy: -358.778 Base-Backbone interact. energy: -0.724 local terms energy: -393.071085 where: bonds (distance) C4'-P energy: -62.181 bonds (distance) P-C4' energy: -74.884 flat angles C4'-P-C4' energy: -85.003 flat angles P-C4'-P energy: -59.149 tors. eta vs tors. theta energy: -111.855 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: 8 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1189.930334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.930334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.930334 (E_RNA) where: Base-Base interactions energy: -824.007 where: short stacking energy: -335.711 Base-Backbone interact. energy: 2.081 local terms energy: -368.004313 where: bonds (distance) C4'-P energy: -66.233 bonds (distance) P-C4' energy: -75.266 flat angles C4'-P-C4' energy: -78.299 flat angles P-C4'-P energy: -52.504 tors. eta vs tors. theta energy: -95.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1170.165494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.165494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.165494 (E_RNA) where: Base-Base interactions energy: -811.205 where: short stacking energy: -341.793 Base-Backbone interact. energy: 2.588 local terms energy: -361.548999 where: bonds (distance) C4'-P energy: -71.185 bonds (distance) P-C4' energy: -74.700 flat angles C4'-P-C4' energy: -74.187 flat angles P-C4'-P energy: -49.514 tors. eta vs tors. theta energy: -91.963 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: 4 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -936.824419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.824419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.824419 (E_RNA) where: Base-Base interactions energy: -601.173 where: short stacking energy: -268.498 Base-Backbone interact. energy: -1.068 local terms energy: -334.584211 where: bonds (distance) C4'-P energy: -69.139 bonds (distance) P-C4' energy: -80.199 flat angles C4'-P-C4' energy: -74.322 flat angles P-C4'-P energy: -46.222 tors. eta vs tors. theta energy: -64.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -812.423660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.423660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.423660 (E_RNA) where: Base-Base interactions energy: -524.772 where: short stacking energy: -238.371 Base-Backbone interact. energy: -5.674 local terms energy: -281.977538 where: bonds (distance) C4'-P energy: -67.510 bonds (distance) P-C4' energy: -77.760 flat angles C4'-P-C4' energy: -48.702 flat angles P-C4'-P energy: -38.940 tors. eta vs tors. theta energy: -49.066 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: 313 Temperature: 1.300000 Total energy: -676.572642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.572642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.572642 (E_RNA) where: Base-Base interactions energy: -396.895 where: short stacking energy: -189.901 Base-Backbone interact. energy: 0.055 local terms energy: -279.732801 where: bonds (distance) C4'-P energy: -66.077 bonds (distance) P-C4' energy: -74.580 flat angles C4'-P-C4' energy: -68.458 flat angles P-C4'-P energy: -42.340 tors. eta vs tors. theta energy: -28.277 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: 2 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -538.384172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.384172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.384172 (E_RNA) where: Base-Base interactions energy: -304.433 where: short stacking energy: -146.864 Base-Backbone interact. energy: 1.459 local terms energy: -235.410073 where: bonds (distance) C4'-P energy: -66.425 bonds (distance) P-C4' energy: -72.033 flat angles C4'-P-C4' energy: -59.777 flat angles P-C4'-P energy: -29.844 tors. eta vs tors. theta energy: -7.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1410.565930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.565930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.565930 (E_RNA) where: Base-Base interactions energy: -979.571 where: short stacking energy: -428.531 Base-Backbone interact. energy: -1.808 local terms energy: -429.187238 where: bonds (distance) C4'-P energy: -74.714 bonds (distance) P-C4' energy: -81.767 flat angles C4'-P-C4' energy: -94.041 flat angles P-C4'-P energy: -49.672 tors. eta vs tors. theta energy: -128.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1392.478262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.478262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.478262 (E_RNA) where: Base-Base interactions energy: -960.275 where: short stacking energy: -420.389 Base-Backbone interact. energy: -0.930 local terms energy: -431.274010 where: bonds (distance) C4'-P energy: -75.520 bonds (distance) P-C4' energy: -76.688 flat angles C4'-P-C4' energy: -87.296 flat angles P-C4'-P energy: -64.201 tors. eta vs tors. theta energy: -127.569 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: 6 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1328.966569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.966569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.966569 (E_RNA) where: Base-Base interactions energy: -914.638 where: short stacking energy: -384.502 Base-Backbone interact. energy: -2.620 local terms energy: -411.707640 where: bonds (distance) C4'-P energy: -71.746 bonds (distance) P-C4' energy: -78.707 flat angles C4'-P-C4' energy: -87.270 flat angles P-C4'-P energy: -58.295 tors. eta vs tors. theta energy: -115.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1277.082224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.082224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.082224 (E_RNA) where: Base-Base interactions energy: -872.275 where: short stacking energy: -387.206 Base-Backbone interact. energy: -3.173 local terms energy: -401.634943 where: bonds (distance) C4'-P energy: -75.679 bonds (distance) P-C4' energy: -75.877 flat angles C4'-P-C4' energy: -86.846 flat angles P-C4'-P energy: -45.394 tors. eta vs tors. theta energy: -117.838 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: 8 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1200.927739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.927739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.927739 (E_RNA) where: Base-Base interactions energy: -844.413 where: short stacking energy: -332.504 Base-Backbone interact. energy: -0.076 local terms energy: -356.439089 where: bonds (distance) C4'-P energy: -67.604 bonds (distance) P-C4' energy: -74.306 flat angles C4'-P-C4' energy: -73.597 flat angles P-C4'-P energy: -49.288 tors. eta vs tors. theta energy: -91.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1119.923392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.923392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.923392 (E_RNA) where: Base-Base interactions energy: -761.199 where: short stacking energy: -327.326 Base-Backbone interact. energy: -1.443 local terms energy: -357.281838 where: bonds (distance) C4'-P energy: -64.357 bonds (distance) P-C4' energy: -71.832 flat angles C4'-P-C4' energy: -77.606 flat angles P-C4'-P energy: -56.551 tors. eta vs tors. theta energy: -86.935 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: 4 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -931.589854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.589854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.589854 (E_RNA) where: Base-Base interactions energy: -604.288 where: short stacking energy: -276.760 Base-Backbone interact. energy: -0.829 local terms energy: -326.472652 where: bonds (distance) C4'-P energy: -71.287 bonds (distance) P-C4' energy: -73.757 flat angles C4'-P-C4' energy: -68.199 flat angles P-C4'-P energy: -37.424 tors. eta vs tors. theta energy: -75.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -829.312373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.312373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.312373 (E_RNA) where: Base-Base interactions energy: -535.151 where: short stacking energy: -240.046 Base-Backbone interact. energy: 3.249 local terms energy: -297.410814 where: bonds (distance) C4'-P energy: -58.338 bonds (distance) P-C4' energy: -65.096 flat angles C4'-P-C4' energy: -71.360 flat angles P-C4'-P energy: -52.377 tors. eta vs tors. theta energy: -50.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -664.906586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.906586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.906586 (E_RNA) where: Base-Base interactions energy: -396.538 where: short stacking energy: -189.928 Base-Backbone interact. energy: -0.242 local terms energy: -268.127316 where: bonds (distance) C4'-P energy: -68.787 bonds (distance) P-C4' energy: -74.184 flat angles C4'-P-C4' energy: -67.022 flat angles P-C4'-P energy: -40.414 tors. eta vs tors. theta energy: -17.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -522.532364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.532364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.532364 (E_RNA) where: Base-Base interactions energy: -269.310 where: short stacking energy: -141.496 Base-Backbone interact. energy: -2.111 local terms energy: -251.110943 where: bonds (distance) C4'-P energy: -55.421 bonds (distance) P-C4' energy: -71.461 flat angles C4'-P-C4' energy: -63.792 flat angles P-C4'-P energy: -46.782 tors. eta vs tors. theta energy: -13.656 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: 10 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1405.235219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.235219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.235219 (E_RNA) where: Base-Base interactions energy: -984.154 where: short stacking energy: -407.074 Base-Backbone interact. energy: 0.589 local terms energy: -421.670509 where: bonds (distance) C4'-P energy: -76.808 bonds (distance) P-C4' energy: -81.060 flat angles C4'-P-C4' energy: -90.008 flat angles P-C4'-P energy: -55.934 tors. eta vs tors. theta energy: -117.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1391.906119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.906119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.906119 (E_RNA) where: Base-Base interactions energy: -947.301 where: short stacking energy: -438.141 Base-Backbone interact. energy: -1.553 local terms energy: -443.051921 where: bonds (distance) C4'-P energy: -74.095 bonds (distance) P-C4' energy: -83.549 flat angles C4'-P-C4' energy: -90.462 flat angles P-C4'-P energy: -62.361 tors. eta vs tors. theta energy: -132.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1333.168565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.168565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.168565 (E_RNA) where: Base-Base interactions energy: -909.042 where: short stacking energy: -417.562 Base-Backbone interact. energy: -1.452 local terms energy: -422.675100 where: bonds (distance) C4'-P energy: -81.721 bonds (distance) P-C4' energy: -79.791 flat angles C4'-P-C4' energy: -85.077 flat angles P-C4'-P energy: -58.101 tors. eta vs tors. theta energy: -117.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1273.021125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.021125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.021125 (E_RNA) where: Base-Base interactions energy: -875.675 where: short stacking energy: -376.372 Base-Backbone interact. energy: 0.531 local terms energy: -397.877605 where: bonds (distance) C4'-P energy: -69.581 bonds (distance) P-C4' energy: -71.743 flat angles C4'-P-C4' energy: -80.674 flat angles P-C4'-P energy: -58.844 tors. eta vs tors. theta energy: -117.036 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: 8 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1216.781322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.781322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.781322 (E_RNA) where: Base-Base interactions energy: -850.656 where: short stacking energy: -359.413 Base-Backbone interact. energy: -1.347 local terms energy: -364.778639 where: bonds (distance) C4'-P energy: -68.420 bonds (distance) P-C4' energy: -59.097 flat angles C4'-P-C4' energy: -84.061 flat angles P-C4'-P energy: -50.911 tors. eta vs tors. theta energy: -102.290 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: 6, replica: 3 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1123.271693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.271693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.271693 (E_RNA) where: Base-Base interactions energy: -760.120 where: short stacking energy: -330.036 Base-Backbone interact. energy: -2.030 local terms energy: -361.121768 where: bonds (distance) C4'-P energy: -67.177 bonds (distance) P-C4' energy: -74.212 flat angles C4'-P-C4' energy: -82.798 flat angles P-C4'-P energy: -47.550 tors. eta vs tors. theta energy: -89.384 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: 4 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -936.957417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.957417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.957417 (E_RNA) where: Base-Base interactions energy: -599.170 where: short stacking energy: -264.741 Base-Backbone interact. energy: 0.332 local terms energy: -338.118532 where: bonds (distance) C4'-P energy: -64.669 bonds (distance) P-C4' energy: -69.651 flat angles C4'-P-C4' energy: -75.884 flat angles P-C4'-P energy: -54.151 tors. eta vs tors. theta energy: -73.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -771.033576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.033576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.033576 (E_RNA) where: Base-Base interactions energy: -494.960 where: short stacking energy: -231.127 Base-Backbone interact. energy: -0.500 local terms energy: -275.573218 where: bonds (distance) C4'-P energy: -49.335 bonds (distance) P-C4' energy: -69.172 flat angles C4'-P-C4' energy: -63.863 flat angles P-C4'-P energy: -45.524 tors. eta vs tors. theta energy: -47.679 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: 9, replica: 1 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -652.317046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.317046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.317046 (E_RNA) where: Base-Base interactions energy: -391.003 where: short stacking energy: -197.246 Base-Backbone interact. energy: 1.516 local terms energy: -262.830020 where: bonds (distance) C4'-P energy: -56.927 bonds (distance) P-C4' energy: -65.216 flat angles C4'-P-C4' energy: -68.301 flat angles P-C4'-P energy: -37.440 tors. eta vs tors. theta energy: -34.947 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: 2 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -505.704039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.704039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.704039 (E_RNA) where: Base-Base interactions energy: -292.814 where: short stacking energy: -154.118 Base-Backbone interact. energy: 6.223 local terms energy: -219.112801 where: bonds (distance) C4'-P energy: -66.608 bonds (distance) P-C4' energy: -66.331 flat angles C4'-P-C4' energy: -47.650 flat angles P-C4'-P energy: -36.073 tors. eta vs tors. theta energy: -2.451 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: 1, replica: 9 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1412.147293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.147293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.147293 (E_RNA) where: Base-Base interactions energy: -973.263 where: short stacking energy: -422.051 Base-Backbone interact. energy: 0.262 local terms energy: -439.146140 where: bonds (distance) C4'-P energy: -75.963 bonds (distance) P-C4' energy: -79.180 flat angles C4'-P-C4' energy: -97.468 flat angles P-C4'-P energy: -58.802 tors. eta vs tors. theta energy: -127.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1370.853824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.853824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.853824 (E_RNA) where: Base-Base interactions energy: -942.875 where: short stacking energy: -408.501 Base-Backbone interact. energy: -1.883 local terms energy: -426.096104 where: bonds (distance) C4'-P energy: -72.046 bonds (distance) P-C4' energy: -83.021 flat angles C4'-P-C4' energy: -88.559 flat angles P-C4'-P energy: -60.810 tors. eta vs tors. theta energy: -121.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1314.436472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.436472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.436472 (E_RNA) where: Base-Base interactions energy: -880.987 where: short stacking energy: -398.613 Base-Backbone interact. energy: -1.898 local terms energy: -431.550757 where: bonds (distance) C4'-P energy: -80.697 bonds (distance) P-C4' energy: -82.113 flat angles C4'-P-C4' energy: -87.808 flat angles P-C4'-P energy: -60.004 tors. eta vs tors. theta energy: -120.929 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: 5 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1255.534597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.534597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.534597 (E_RNA) where: Base-Base interactions energy: -855.408 where: short stacking energy: -375.089 Base-Backbone interact. energy: -3.625 local terms energy: -396.501564 where: bonds (distance) C4'-P energy: -75.881 bonds (distance) P-C4' energy: -73.939 flat angles C4'-P-C4' energy: -84.452 flat angles P-C4'-P energy: -55.365 tors. eta vs tors. theta energy: -106.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1176.416110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.416110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.416110 (E_RNA) where: Base-Base interactions energy: -803.269 where: short stacking energy: -362.348 Base-Backbone interact. energy: -3.617 local terms energy: -369.529672 where: bonds (distance) C4'-P energy: -70.769 bonds (distance) P-C4' energy: -69.599 flat angles C4'-P-C4' energy: -80.843 flat angles P-C4'-P energy: -48.813 tors. eta vs tors. theta energy: -99.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1110.266647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.266647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.266647 (E_RNA) where: Base-Base interactions energy: -776.659 where: short stacking energy: -343.846 Base-Backbone interact. energy: 0.178 local terms energy: -333.785195 where: bonds (distance) C4'-P energy: -53.277 bonds (distance) P-C4' energy: -70.530 flat angles C4'-P-C4' energy: -77.604 flat angles P-C4'-P energy: -46.487 tors. eta vs tors. theta energy: -85.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -929.292437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.292437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.292437 (E_RNA) where: Base-Base interactions energy: -603.231 where: short stacking energy: -288.434 Base-Backbone interact. energy: 1.093 local terms energy: -327.154508 where: bonds (distance) C4'-P energy: -70.939 bonds (distance) P-C4' energy: -74.388 flat angles C4'-P-C4' energy: -75.326 flat angles P-C4'-P energy: -38.329 tors. eta vs tors. theta energy: -68.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -784.514208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.514208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.514208 (E_RNA) where: Base-Base interactions energy: -477.154 where: short stacking energy: -212.753 Base-Backbone interact. energy: -0.142 local terms energy: -307.218441 where: bonds (distance) C4'-P energy: -66.811 bonds (distance) P-C4' energy: -67.113 flat angles C4'-P-C4' energy: -73.844 flat angles P-C4'-P energy: -48.841 tors. eta vs tors. theta energy: -50.609 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: 9, replica: 1 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -694.696310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.696310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.696310 (E_RNA) where: Base-Base interactions energy: -410.672 where: short stacking energy: -191.725 Base-Backbone interact. energy: 1.036 local terms energy: -285.059854 where: bonds (distance) C4'-P energy: -70.206 bonds (distance) P-C4' energy: -70.573 flat angles C4'-P-C4' energy: -69.027 flat angles P-C4'-P energy: -40.497 tors. eta vs tors. theta energy: -34.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -447.756820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.756820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.756820 (E_RNA) where: Base-Base interactions energy: -241.681 where: short stacking energy: -137.784 Base-Backbone interact. energy: 1.163 local terms energy: -207.238479 where: bonds (distance) C4'-P energy: -61.497 bonds (distance) P-C4' energy: -67.117 flat angles C4'-P-C4' energy: -49.223 flat angles P-C4'-P energy: -28.959 tors. eta vs tors. theta energy: -0.443 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: 9 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1425.044905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.044905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.044905 (E_RNA) where: Base-Base interactions energy: -973.200 where: short stacking energy: -443.755 Base-Backbone interact. energy: -1.085 local terms energy: -450.759709 where: bonds (distance) C4'-P energy: -79.914 bonds (distance) P-C4' energy: -86.675 flat angles C4'-P-C4' energy: -94.745 flat angles P-C4'-P energy: -64.921 tors. eta vs tors. theta energy: -124.505 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: 10 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1377.966606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.966606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.966606 (E_RNA) where: Base-Base interactions energy: -947.594 where: short stacking energy: -420.900 Base-Backbone interact. energy: 0.266 local terms energy: -430.638574 where: bonds (distance) C4'-P energy: -77.079 bonds (distance) P-C4' energy: -77.635 flat angles C4'-P-C4' energy: -90.104 flat angles P-C4'-P energy: -62.678 tors. eta vs tors. theta energy: -123.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1292.975311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.975311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.975311 (E_RNA) where: Base-Base interactions energy: -879.311 where: short stacking energy: -408.579 Base-Backbone interact. energy: -0.232 local terms energy: -413.431511 where: bonds (distance) C4'-P energy: -74.833 bonds (distance) P-C4' energy: -73.576 flat angles C4'-P-C4' energy: -88.648 flat angles P-C4'-P energy: -51.142 tors. eta vs tors. theta energy: -125.233 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: 4, replica: 5 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1237.185946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.185946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.185946 (E_RNA) where: Base-Base interactions energy: -872.094 where: short stacking energy: -358.015 Base-Backbone interact. energy: 3.014 local terms energy: -368.105941 where: bonds (distance) C4'-P energy: -73.903 bonds (distance) P-C4' energy: -61.579 flat angles C4'-P-C4' energy: -81.350 flat angles P-C4'-P energy: -50.999 tors. eta vs tors. theta energy: -100.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1200.085726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.085726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.085726 (E_RNA) where: Base-Base interactions energy: -824.463 where: short stacking energy: -371.959 Base-Backbone interact. energy: -2.733 local terms energy: -372.889593 where: bonds (distance) C4'-P energy: -75.427 bonds (distance) P-C4' energy: -70.719 flat angles C4'-P-C4' energy: -77.381 flat angles P-C4'-P energy: -47.470 tors. eta vs tors. theta energy: -101.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1081.071844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.071844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.071844 (E_RNA) where: Base-Base interactions energy: -736.564 where: short stacking energy: -324.768 Base-Backbone interact. energy: -1.397 local terms energy: -343.110509 where: bonds (distance) C4'-P energy: -69.164 bonds (distance) P-C4' energy: -63.305 flat angles C4'-P-C4' energy: -74.568 flat angles P-C4'-P energy: -44.128 tors. eta vs tors. theta energy: -91.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -930.532519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.532519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.532519 (E_RNA) where: Base-Base interactions energy: -619.017 where: short stacking energy: -305.503 Base-Backbone interact. energy: 1.477 local terms energy: -312.992602 where: bonds (distance) C4'-P energy: -64.497 bonds (distance) P-C4' energy: -67.505 flat angles C4'-P-C4' energy: -61.124 flat angles P-C4'-P energy: -45.256 tors. eta vs tors. theta energy: -74.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -828.311271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.311271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.311271 (E_RNA) where: Base-Base interactions energy: -528.705 where: short stacking energy: -252.971 Base-Backbone interact. energy: -1.982 local terms energy: -297.624663 where: bonds (distance) C4'-P energy: -54.878 bonds (distance) P-C4' energy: -77.195 flat angles C4'-P-C4' energy: -67.088 flat angles P-C4'-P energy: -37.758 tors. eta vs tors. theta energy: -60.706 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: 317 Temperature: 1.300000 Total energy: -691.997957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.997957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.997957 (E_RNA) where: Base-Base interactions energy: -426.996 where: short stacking energy: -200.279 Base-Backbone interact. energy: 2.645 local terms energy: -267.647040 where: bonds (distance) C4'-P energy: -55.273 bonds (distance) P-C4' energy: -76.498 flat angles C4'-P-C4' energy: -60.014 flat angles P-C4'-P energy: -36.397 tors. eta vs tors. theta energy: -39.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -468.528172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.528172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.528172 (E_RNA) where: Base-Base interactions energy: -223.171 where: short stacking energy: -127.009 Base-Backbone interact. energy: -1.165 local terms energy: -244.192994 where: bonds (distance) C4'-P energy: -66.567 bonds (distance) P-C4' energy: -58.064 flat angles C4'-P-C4' energy: -56.349 flat angles P-C4'-P energy: -41.494 tors. eta vs tors. theta energy: -21.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1401.285956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.285956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.285956 (E_RNA) where: Base-Base interactions energy: -942.778 where: short stacking energy: -413.315 Base-Backbone interact. energy: -0.066 local terms energy: -458.441885 where: bonds (distance) C4'-P energy: -80.952 bonds (distance) P-C4' energy: -89.634 flat angles C4'-P-C4' energy: -97.164 flat angles P-C4'-P energy: -70.260 tors. eta vs tors. theta energy: -120.433 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: 2, replica: 9 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1386.686884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.686884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.686884 (E_RNA) where: Base-Base interactions energy: -943.401 where: short stacking energy: -415.107 Base-Backbone interact. energy: -1.491 local terms energy: -441.794247 where: bonds (distance) C4'-P energy: -76.416 bonds (distance) P-C4' energy: -81.142 flat angles C4'-P-C4' energy: -95.975 flat angles P-C4'-P energy: -55.657 tors. eta vs tors. theta energy: -132.605 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: 6 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1302.828794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.828794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.828794 (E_RNA) where: Base-Base interactions energy: -883.427 where: short stacking energy: -419.490 Base-Backbone interact. energy: -1.774 local terms energy: -417.628210 where: bonds (distance) C4'-P energy: -71.122 bonds (distance) P-C4' energy: -75.773 flat angles C4'-P-C4' energy: -92.218 flat angles P-C4'-P energy: -63.064 tors. eta vs tors. theta energy: -115.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1211.692095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.692095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.692095 (E_RNA) where: Base-Base interactions energy: -821.380 where: short stacking energy: -377.384 Base-Backbone interact. energy: -1.543 local terms energy: -388.769664 where: bonds (distance) C4'-P energy: -73.852 bonds (distance) P-C4' energy: -79.833 flat angles C4'-P-C4' energy: -76.687 flat angles P-C4'-P energy: -51.661 tors. eta vs tors. theta energy: -106.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1177.454145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.454145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.454145 (E_RNA) where: Base-Base interactions energy: -810.081 where: short stacking energy: -344.042 Base-Backbone interact. energy: -1.300 local terms energy: -366.073689 where: bonds (distance) C4'-P energy: -53.960 bonds (distance) P-C4' energy: -81.563 flat angles C4'-P-C4' energy: -76.244 flat angles P-C4'-P energy: -60.463 tors. eta vs tors. theta energy: -93.845 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: 318 Temperature: 1.150000 Total energy: -1078.197829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.197829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.197829 (E_RNA) where: Base-Base interactions energy: -757.233 where: short stacking energy: -313.291 Base-Backbone interact. energy: -1.107 local terms energy: -319.857919 where: bonds (distance) C4'-P energy: -73.425 bonds (distance) P-C4' energy: -66.531 flat angles C4'-P-C4' energy: -68.804 flat angles P-C4'-P energy: -34.499 tors. eta vs tors. theta energy: -76.599 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: 7, replica: 4 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -918.257353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.257353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.257353 (E_RNA) where: Base-Base interactions energy: -592.096 where: short stacking energy: -258.967 Base-Backbone interact. energy: -1.118 local terms energy: -325.043837 where: bonds (distance) C4'-P energy: -64.329 bonds (distance) P-C4' energy: -75.783 flat angles C4'-P-C4' energy: -68.966 flat angles P-C4'-P energy: -51.306 tors. eta vs tors. theta energy: -64.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -783.795626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.795626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.795626 (E_RNA) where: Base-Base interactions energy: -501.402 where: short stacking energy: -214.680 Base-Backbone interact. energy: 1.560 local terms energy: -283.952746 where: bonds (distance) C4'-P energy: -58.033 bonds (distance) P-C4' energy: -69.331 flat angles C4'-P-C4' energy: -66.180 flat angles P-C4'-P energy: -48.801 tors. eta vs tors. theta energy: -41.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -672.451205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.451205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.451205 (E_RNA) where: Base-Base interactions energy: -412.145 where: short stacking energy: -187.901 Base-Backbone interact. energy: 2.490 local terms energy: -262.795916 where: bonds (distance) C4'-P energy: -74.038 bonds (distance) P-C4' energy: -76.737 flat angles C4'-P-C4' energy: -50.099 flat angles P-C4'-P energy: -42.423 tors. eta vs tors. theta energy: -19.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -530.173147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.173147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.173147 (E_RNA) where: Base-Base interactions energy: -294.794 where: short stacking energy: -148.143 Base-Backbone interact. energy: 0.072 local terms energy: -235.451027 where: bonds (distance) C4'-P energy: -61.956 bonds (distance) P-C4' energy: -68.396 flat angles C4'-P-C4' energy: -51.091 flat angles P-C4'-P energy: -39.621 tors. eta vs tors. theta energy: -14.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1410.576528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.576528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.576528 (E_RNA) where: Base-Base interactions energy: -985.676 where: short stacking energy: -422.242 Base-Backbone interact. energy: -1.683 local terms energy: -423.216984 where: bonds (distance) C4'-P energy: -70.990 bonds (distance) P-C4' energy: -79.654 flat angles C4'-P-C4' energy: -83.643 flat angles P-C4'-P energy: -63.559 tors. eta vs tors. theta energy: -125.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1371.369576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.369576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.369576 (E_RNA) where: Base-Base interactions energy: -939.526 where: short stacking energy: -420.915 Base-Backbone interact. energy: 0.838 local terms energy: -432.682304 where: bonds (distance) C4'-P energy: -76.110 bonds (distance) P-C4' energy: -70.529 flat angles C4'-P-C4' energy: -85.835 flat angles P-C4'-P energy: -65.594 tors. eta vs tors. theta energy: -134.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1288.978266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.978266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.978266 (E_RNA) where: Base-Base interactions energy: -881.429 where: short stacking energy: -386.589 Base-Backbone interact. energy: -2.286 local terms energy: -405.262987 where: bonds (distance) C4'-P energy: -82.294 bonds (distance) P-C4' energy: -68.619 flat angles C4'-P-C4' energy: -87.138 flat angles P-C4'-P energy: -57.375 tors. eta vs tors. theta energy: -109.837 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: 5 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1275.734694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.734694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.734694 (E_RNA) where: Base-Base interactions energy: -858.672 where: short stacking energy: -369.801 Base-Backbone interact. energy: -2.154 local terms energy: -414.907758 where: bonds (distance) C4'-P energy: -81.270 bonds (distance) P-C4' energy: -74.729 flat angles C4'-P-C4' energy: -86.120 flat angles P-C4'-P energy: -58.502 tors. eta vs tors. theta energy: -114.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1176.950703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.950703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.950703 (E_RNA) where: Base-Base interactions energy: -794.805 where: short stacking energy: -340.656 Base-Backbone interact. energy: -0.050 local terms energy: -382.096280 where: bonds (distance) C4'-P energy: -74.805 bonds (distance) P-C4' energy: -73.524 flat angles C4'-P-C4' energy: -78.068 flat angles P-C4'-P energy: -55.600 tors. eta vs tors. theta energy: -100.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1121.900108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.900108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.900108 (E_RNA) where: Base-Base interactions energy: -761.121 where: short stacking energy: -327.705 Base-Backbone interact. energy: -1.012 local terms energy: -359.767540 where: bonds (distance) C4'-P energy: -69.640 bonds (distance) P-C4' energy: -68.790 flat angles C4'-P-C4' energy: -74.234 flat angles P-C4'-P energy: -53.082 tors. eta vs tors. theta energy: -94.022 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: 4 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -958.450458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.450458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.450458 (E_RNA) where: Base-Base interactions energy: -616.780 where: short stacking energy: -276.416 Base-Backbone interact. energy: -0.207 local terms energy: -341.463882 where: bonds (distance) C4'-P energy: -66.846 bonds (distance) P-C4' energy: -83.213 flat angles C4'-P-C4' energy: -70.240 flat angles P-C4'-P energy: -44.568 tors. eta vs tors. theta energy: -76.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -847.975757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.975757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.975757 (E_RNA) where: Base-Base interactions energy: -539.215 where: short stacking energy: -239.791 Base-Backbone interact. energy: -0.535 local terms energy: -308.224998 where: bonds (distance) C4'-P energy: -67.092 bonds (distance) P-C4' energy: -66.079 flat angles C4'-P-C4' energy: -75.869 flat angles P-C4'-P energy: -45.549 tors. eta vs tors. theta energy: -53.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -652.934397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.934397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.934397 (E_RNA) where: Base-Base interactions energy: -371.886 where: short stacking energy: -189.945 Base-Backbone interact. energy: -1.087 local terms energy: -279.961008 where: bonds (distance) C4'-P energy: -69.093 bonds (distance) P-C4' energy: -70.862 flat angles C4'-P-C4' energy: -68.838 flat angles P-C4'-P energy: -43.799 tors. eta vs tors. theta energy: -27.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -516.936357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.936357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.936357 (E_RNA) where: Base-Base interactions energy: -283.038 where: short stacking energy: -165.338 Base-Backbone interact. energy: 1.309 local terms energy: -235.207241 where: bonds (distance) C4'-P energy: -63.364 bonds (distance) P-C4' energy: -65.080 flat angles C4'-P-C4' energy: -64.301 flat angles P-C4'-P energy: -34.660 tors. eta vs tors. theta energy: -7.802 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: 1, replica: 10 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1418.869326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.869326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.869326 (E_RNA) where: Base-Base interactions energy: -976.403 where: short stacking energy: -431.766 Base-Backbone interact. energy: -0.636 local terms energy: -441.830116 where: bonds (distance) C4'-P energy: -85.023 bonds (distance) P-C4' energy: -79.533 flat angles C4'-P-C4' energy: -92.950 flat angles P-C4'-P energy: -59.083 tors. eta vs tors. theta energy: -125.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1400.631285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.631285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.631285 (E_RNA) where: Base-Base interactions energy: -957.386 where: short stacking energy: -426.572 Base-Backbone interact. energy: -2.249 local terms energy: -440.996347 where: bonds (distance) C4'-P energy: -71.369 bonds (distance) P-C4' energy: -77.305 flat angles C4'-P-C4' energy: -97.502 flat angles P-C4'-P energy: -71.030 tors. eta vs tors. theta energy: -123.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1267.746949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.746949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.746949 (E_RNA) where: Base-Base interactions energy: -853.443 where: short stacking energy: -345.812 Base-Backbone interact. energy: -0.644 local terms energy: -413.660170 where: bonds (distance) C4'-P energy: -82.012 bonds (distance) P-C4' energy: -75.418 flat angles C4'-P-C4' energy: -91.250 flat angles P-C4'-P energy: -52.324 tors. eta vs tors. theta energy: -112.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1232.268541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.268541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.268541 (E_RNA) where: Base-Base interactions energy: -837.075 where: short stacking energy: -366.536 Base-Backbone interact. energy: -0.233 local terms energy: -394.960698 where: bonds (distance) C4'-P energy: -75.217 bonds (distance) P-C4' energy: -78.544 flat angles C4'-P-C4' energy: -89.063 flat angles P-C4'-P energy: -48.385 tors. eta vs tors. theta energy: -103.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1151.078288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.078288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.078288 (E_RNA) where: Base-Base interactions energy: -779.637 where: short stacking energy: -299.351 Base-Backbone interact. energy: -1.828 local terms energy: -369.612958 where: bonds (distance) C4'-P energy: -68.045 bonds (distance) P-C4' energy: -76.205 flat angles C4'-P-C4' energy: -80.628 flat angles P-C4'-P energy: -56.220 tors. eta vs tors. theta energy: -88.516 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: 6, replica: 3 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1120.980838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.980838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.980838 (E_RNA) where: Base-Base interactions energy: -775.915 where: short stacking energy: -309.493 Base-Backbone interact. energy: -0.974 local terms energy: -344.091830 where: bonds (distance) C4'-P energy: -61.534 bonds (distance) P-C4' energy: -67.952 flat angles C4'-P-C4' energy: -78.547 flat angles P-C4'-P energy: -50.087 tors. eta vs tors. theta energy: -85.972 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: 4 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -942.491388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.491388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.491388 (E_RNA) where: Base-Base interactions energy: -611.762 where: short stacking energy: -290.124 Base-Backbone interact. energy: -1.073 local terms energy: -329.656768 where: bonds (distance) C4'-P energy: -65.940 bonds (distance) P-C4' energy: -67.258 flat angles C4'-P-C4' energy: -78.545 flat angles P-C4'-P energy: -46.663 tors. eta vs tors. theta energy: -71.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -826.584563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.584563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.584563 (E_RNA) where: Base-Base interactions energy: -545.042 where: short stacking energy: -247.422 Base-Backbone interact. energy: 1.098 local terms energy: -282.640334 where: bonds (distance) C4'-P energy: -58.600 bonds (distance) P-C4' energy: -71.785 flat angles C4'-P-C4' energy: -56.091 flat angles P-C4'-P energy: -43.402 tors. eta vs tors. theta energy: -52.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -684.023769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.023769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.023769 (E_RNA) where: Base-Base interactions energy: -417.833 where: short stacking energy: -215.197 Base-Backbone interact. energy: -1.738 local terms energy: -264.452355 where: bonds (distance) C4'-P energy: -63.333 bonds (distance) P-C4' energy: -64.628 flat angles C4'-P-C4' energy: -59.879 flat angles P-C4'-P energy: -44.326 tors. eta vs tors. theta energy: -32.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -510.093039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.093039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.093039 (E_RNA) where: Base-Base interactions energy: -266.877 where: short stacking energy: -149.114 Base-Backbone interact. energy: -1.461 local terms energy: -241.754779 where: bonds (distance) C4'-P energy: -67.974 bonds (distance) P-C4' energy: -72.481 flat angles C4'-P-C4' energy: -44.329 flat angles P-C4'-P energy: -32.619 tors. eta vs tors. theta energy: -24.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1391.067496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.067496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.067496 (E_RNA) where: Base-Base interactions energy: -980.358 where: short stacking energy: -414.465 Base-Backbone interact. energy: 2.566 local terms energy: -413.275492 where: bonds (distance) C4'-P energy: -71.937 bonds (distance) P-C4' energy: -77.472 flat angles C4'-P-C4' energy: -85.882 flat angles P-C4'-P energy: -62.953 tors. eta vs tors. theta energy: -115.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1409.393088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.393088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.393088 (E_RNA) where: Base-Base interactions energy: -969.319 where: short stacking energy: -428.660 Base-Backbone interact. energy: 1.709 local terms energy: -441.782595 where: bonds (distance) C4'-P energy: -73.957 bonds (distance) P-C4' energy: -77.970 flat angles C4'-P-C4' energy: -90.613 flat angles P-C4'-P energy: -61.666 tors. eta vs tors. theta energy: -137.577 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: 5 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1261.630830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.630830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.630830 (E_RNA) where: Base-Base interactions energy: -856.492 where: short stacking energy: -375.818 Base-Backbone interact. energy: -2.902 local terms energy: -402.237484 where: bonds (distance) C4'-P energy: -82.808 bonds (distance) P-C4' energy: -81.638 flat angles C4'-P-C4' energy: -82.364 flat angles P-C4'-P energy: -46.850 tors. eta vs tors. theta energy: -108.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1257.691457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.691457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.691457 (E_RNA) where: Base-Base interactions energy: -853.530 where: short stacking energy: -383.577 Base-Backbone interact. energy: 1.182 local terms energy: -405.343405 where: bonds (distance) C4'-P energy: -71.520 bonds (distance) P-C4' energy: -81.754 flat angles C4'-P-C4' energy: -93.824 flat angles P-C4'-P energy: -53.668 tors. eta vs tors. theta energy: -104.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1183.357713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.357713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.357713 (E_RNA) where: Base-Base interactions energy: -829.082 where: short stacking energy: -338.479 Base-Backbone interact. energy: -2.300 local terms energy: -351.975557 where: bonds (distance) C4'-P energy: -64.290 bonds (distance) P-C4' energy: -61.887 flat angles C4'-P-C4' energy: -90.288 flat angles P-C4'-P energy: -47.837 tors. eta vs tors. theta energy: -87.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1154.595879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.595879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.595879 (E_RNA) where: Base-Base interactions energy: -798.812 where: short stacking energy: -353.923 Base-Backbone interact. energy: -1.225 local terms energy: -354.558649 where: bonds (distance) C4'-P energy: -67.018 bonds (distance) P-C4' energy: -51.934 flat angles C4'-P-C4' energy: -68.079 flat angles P-C4'-P energy: -61.560 tors. eta vs tors. theta energy: -105.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -962.446541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.446541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.446541 (E_RNA) where: Base-Base interactions energy: -629.645 where: short stacking energy: -292.824 Base-Backbone interact. energy: -2.724 local terms energy: -330.077841 where: bonds (distance) C4'-P energy: -67.531 bonds (distance) P-C4' energy: -70.639 flat angles C4'-P-C4' energy: -71.049 flat angles P-C4'-P energy: -45.736 tors. eta vs tors. theta energy: -75.122 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: 7 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -827.890248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.890248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.890248 (E_RNA) where: Base-Base interactions energy: -547.990 where: short stacking energy: -262.710 Base-Backbone interact. energy: -0.356 local terms energy: -279.544777 where: bonds (distance) C4'-P energy: -51.561 bonds (distance) P-C4' energy: -63.056 flat angles C4'-P-C4' energy: -62.558 flat angles P-C4'-P energy: -45.283 tors. eta vs tors. theta energy: -57.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -618.465528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.465528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.465528 (E_RNA) where: Base-Base interactions energy: -373.524 where: short stacking energy: -188.127 Base-Backbone interact. energy: -1.528 local terms energy: -243.413951 where: bonds (distance) C4'-P energy: -41.370 bonds (distance) P-C4' energy: -80.465 flat angles C4'-P-C4' energy: -53.181 flat angles P-C4'-P energy: -43.793 tors. eta vs tors. theta energy: -24.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -468.912022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.912022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.912022 (E_RNA) where: Base-Base interactions energy: -265.397 where: short stacking energy: -167.349 Base-Backbone interact. energy: -0.015 local terms energy: -203.500147 where: bonds (distance) C4'-P energy: -58.161 bonds (distance) P-C4' energy: -67.347 flat angles C4'-P-C4' energy: -53.360 flat angles P-C4'-P energy: -23.163 tors. eta vs tors. theta energy: -1.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1398.394380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.394380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.394380 (E_RNA) where: Base-Base interactions energy: -962.259 where: short stacking energy: -420.203 Base-Backbone interact. energy: -1.054 local terms energy: -435.081320 where: bonds (distance) C4'-P energy: -77.561 bonds (distance) P-C4' energy: -72.737 flat angles C4'-P-C4' energy: -88.589 flat angles P-C4'-P energy: -73.045 tors. eta vs tors. theta energy: -123.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1371.492932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.492932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.492932 (E_RNA) where: Base-Base interactions energy: -953.399 where: short stacking energy: -414.088 Base-Backbone interact. energy: -0.282 local terms energy: -417.812228 where: bonds (distance) C4'-P energy: -76.349 bonds (distance) P-C4' energy: -75.095 flat angles C4'-P-C4' energy: -86.474 flat angles P-C4'-P energy: -62.917 tors. eta vs tors. theta energy: -116.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1254.127306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.127306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.127306 (E_RNA) where: Base-Base interactions energy: -846.000 where: short stacking energy: -361.224 Base-Backbone interact. energy: -2.792 local terms energy: -405.335637 where: bonds (distance) C4'-P energy: -64.874 bonds (distance) P-C4' energy: -83.193 flat angles C4'-P-C4' energy: -88.342 flat angles P-C4'-P energy: -69.170 tors. eta vs tors. theta energy: -99.757 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: 6 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1257.302433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.302433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.302433 (E_RNA) where: Base-Base interactions energy: -862.416 where: short stacking energy: -373.347 Base-Backbone interact. energy: -1.382 local terms energy: -393.504332 where: bonds (distance) C4'-P energy: -78.678 bonds (distance) P-C4' energy: -67.909 flat angles C4'-P-C4' energy: -84.027 flat angles P-C4'-P energy: -55.915 tors. eta vs tors. theta energy: -106.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1168.558904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.558904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.558904 (E_RNA) where: Base-Base interactions energy: -801.613 where: short stacking energy: -342.443 Base-Backbone interact. energy: -1.887 local terms energy: -365.058951 where: bonds (distance) C4'-P energy: -70.124 bonds (distance) P-C4' energy: -80.320 flat angles C4'-P-C4' energy: -79.735 flat angles P-C4'-P energy: -38.634 tors. eta vs tors. theta energy: -96.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1147.380710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.380710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.380710 (E_RNA) where: Base-Base interactions energy: -791.610 where: short stacking energy: -346.227 Base-Backbone interact. energy: -2.134 local terms energy: -353.637327 where: bonds (distance) C4'-P energy: -60.875 bonds (distance) P-C4' energy: -78.936 flat angles C4'-P-C4' energy: -77.270 flat angles P-C4'-P energy: -38.525 tors. eta vs tors. theta energy: -98.032 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: 4 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -925.180583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.180583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.180583 (E_RNA) where: Base-Base interactions energy: -626.116 where: short stacking energy: -287.920 Base-Backbone interact. energy: -1.773 local terms energy: -297.291780 where: bonds (distance) C4'-P energy: -64.291 bonds (distance) P-C4' energy: -60.165 flat angles C4'-P-C4' energy: -68.328 flat angles P-C4'-P energy: -36.501 tors. eta vs tors. theta energy: -68.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -821.547053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.547053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.547053 (E_RNA) where: Base-Base interactions energy: -548.883 where: short stacking energy: -229.494 Base-Backbone interact. energy: -1.527 local terms energy: -271.137182 where: bonds (distance) C4'-P energy: -54.827 bonds (distance) P-C4' energy: -70.349 flat angles C4'-P-C4' energy: -68.159 flat angles P-C4'-P energy: -34.376 tors. eta vs tors. theta energy: -43.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -588.328326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.328326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.328326 (E_RNA) where: Base-Base interactions energy: -348.611 where: short stacking energy: -155.497 Base-Backbone interact. energy: 2.888 local terms energy: -242.605350 where: bonds (distance) C4'-P energy: -72.970 bonds (distance) P-C4' energy: -73.177 flat angles C4'-P-C4' energy: -60.193 flat angles P-C4'-P energy: -37.112 tors. eta vs tors. theta energy: 0.846 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: 2 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -445.082571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.082571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.082571 (E_RNA) where: Base-Base interactions energy: -221.005 where: short stacking energy: -125.549 Base-Backbone interact. energy: 1.205 local terms energy: -225.282575 where: bonds (distance) C4'-P energy: -67.727 bonds (distance) P-C4' energy: -81.134 flat angles C4'-P-C4' energy: -48.068 flat angles P-C4'-P energy: -26.193 tors. eta vs tors. theta energy: -2.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1401.017205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.017205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.017205 (E_RNA) where: Base-Base interactions energy: -980.013 where: short stacking energy: -419.405 Base-Backbone interact. energy: 0.559 local terms energy: -421.562728 where: bonds (distance) C4'-P energy: -78.953 bonds (distance) P-C4' energy: -67.542 flat angles C4'-P-C4' energy: -92.022 flat angles P-C4'-P energy: -58.791 tors. eta vs tors. theta energy: -124.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1369.999002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.999002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.999002 (E_RNA) where: Base-Base interactions energy: -922.478 where: short stacking energy: -396.471 Base-Backbone interact. energy: -1.183 local terms energy: -446.338134 where: bonds (distance) C4'-P energy: -86.507 bonds (distance) P-C4' energy: -76.825 flat angles C4'-P-C4' energy: -96.396 flat angles P-C4'-P energy: -65.457 tors. eta vs tors. theta energy: -121.153 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: 323 Temperature: 1.000000 Total energy: -1262.010535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.010535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.010535 (E_RNA) where: Base-Base interactions energy: -863.472 where: short stacking energy: -355.179 Base-Backbone interact. energy: -0.209 local terms energy: -398.329676 where: bonds (distance) C4'-P energy: -65.753 bonds (distance) P-C4' energy: -81.449 flat angles C4'-P-C4' energy: -83.541 flat angles P-C4'-P energy: -67.728 tors. eta vs tors. theta energy: -99.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1273.757694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.757694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.757694 (E_RNA) where: Base-Base interactions energy: -876.669 where: short stacking energy: -384.800 Base-Backbone interact. energy: -1.885 local terms energy: -395.204204 where: bonds (distance) C4'-P energy: -73.793 bonds (distance) P-C4' energy: -80.633 flat angles C4'-P-C4' energy: -80.971 flat angles P-C4'-P energy: -52.710 tors. eta vs tors. theta energy: -107.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1191.535276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.535276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.535276 (E_RNA) where: Base-Base interactions energy: -815.255 where: short stacking energy: -356.199 Base-Backbone interact. energy: -0.083 local terms energy: -376.196691 where: bonds (distance) C4'-P energy: -66.460 bonds (distance) P-C4' energy: -82.142 flat angles C4'-P-C4' energy: -77.625 flat angles P-C4'-P energy: -45.786 tors. eta vs tors. theta energy: -104.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1142.653799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.653799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.653799 (E_RNA) where: Base-Base interactions energy: -783.069 where: short stacking energy: -309.750 Base-Backbone interact. energy: -2.700 local terms energy: -356.885344 where: bonds (distance) C4'-P energy: -63.138 bonds (distance) P-C4' energy: -78.072 flat angles C4'-P-C4' energy: -79.014 flat angles P-C4'-P energy: -43.276 tors. eta vs tors. theta energy: -93.386 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: 4 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -927.278408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.278408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.278408 (E_RNA) where: Base-Base interactions energy: -598.386 where: short stacking energy: -282.465 Base-Backbone interact. energy: -1.693 local terms energy: -327.199682 where: bonds (distance) C4'-P energy: -65.124 bonds (distance) P-C4' energy: -75.807 flat angles C4'-P-C4' energy: -80.106 flat angles P-C4'-P energy: -38.417 tors. eta vs tors. theta energy: -67.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -873.331219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.331219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.331219 (E_RNA) where: Base-Base interactions energy: -578.153 where: short stacking energy: -272.303 Base-Backbone interact. energy: -1.926 local terms energy: -293.251487 where: bonds (distance) C4'-P energy: -51.756 bonds (distance) P-C4' energy: -77.480 flat angles C4'-P-C4' energy: -55.552 flat angles P-C4'-P energy: -41.257 tors. eta vs tors. theta energy: -67.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -657.121851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.121851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.121851 (E_RNA) where: Base-Base interactions energy: -414.146 where: short stacking energy: -195.098 Base-Backbone interact. energy: -1.269 local terms energy: -241.706733 where: bonds (distance) C4'-P energy: -55.441 bonds (distance) P-C4' energy: -70.246 flat angles C4'-P-C4' energy: -61.233 flat angles P-C4'-P energy: -35.312 tors. eta vs tors. theta energy: -19.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -482.485752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.485752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.485752 (E_RNA) where: Base-Base interactions energy: -244.299 where: short stacking energy: -119.799 Base-Backbone interact. energy: 2.529 local terms energy: -240.714804 where: bonds (distance) C4'-P energy: -72.435 bonds (distance) P-C4' energy: -71.054 flat angles C4'-P-C4' energy: -55.716 flat angles P-C4'-P energy: -41.232 tors. eta vs tors. theta energy: -0.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1427.402869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.402869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.402869 (E_RNA) where: Base-Base interactions energy: -979.913 where: short stacking energy: -421.921 Base-Backbone interact. energy: 0.259 local terms energy: -447.748092 where: bonds (distance) C4'-P energy: -85.366 bonds (distance) P-C4' energy: -93.511 flat angles C4'-P-C4' energy: -87.604 flat angles P-C4'-P energy: -60.936 tors. eta vs tors. theta energy: -120.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1353.265678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.265678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.265678 (E_RNA) where: Base-Base interactions energy: -928.910 where: short stacking energy: -395.842 Base-Backbone interact. energy: -1.529 local terms energy: -422.826739 where: bonds (distance) C4'-P energy: -72.513 bonds (distance) P-C4' energy: -78.514 flat angles C4'-P-C4' energy: -89.259 flat angles P-C4'-P energy: -67.774 tors. eta vs tors. theta energy: -114.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1302.837912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.837912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.837912 (E_RNA) where: Base-Base interactions energy: -899.255 where: short stacking energy: -383.646 Base-Backbone interact. energy: -2.290 local terms energy: -401.293340 where: bonds (distance) C4'-P energy: -84.722 bonds (distance) P-C4' energy: -70.709 flat angles C4'-P-C4' energy: -80.061 flat angles P-C4'-P energy: -61.368 tors. eta vs tors. theta energy: -104.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1240.438618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.438618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.438618 (E_RNA) where: Base-Base interactions energy: -862.974 where: short stacking energy: -367.490 Base-Backbone interact. energy: -0.659 local terms energy: -376.805236 where: bonds (distance) C4'-P energy: -60.226 bonds (distance) P-C4' energy: -74.565 flat angles C4'-P-C4' energy: -87.542 flat angles P-C4'-P energy: -51.796 tors. eta vs tors. theta energy: -102.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1196.051602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.051602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.051602 (E_RNA) where: Base-Base interactions energy: -843.356 where: short stacking energy: -337.817 Base-Backbone interact. energy: 0.063 local terms energy: -352.758911 where: bonds (distance) C4'-P energy: -70.133 bonds (distance) P-C4' energy: -69.883 flat angles C4'-P-C4' energy: -78.784 flat angles P-C4'-P energy: -36.301 tors. eta vs tors. theta energy: -97.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1130.746179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.746179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.746179 (E_RNA) where: Base-Base interactions energy: -768.963 where: short stacking energy: -332.148 Base-Backbone interact. energy: 1.248 local terms energy: -363.031200 where: bonds (distance) C4'-P energy: -81.386 bonds (distance) P-C4' energy: -61.265 flat angles C4'-P-C4' energy: -74.517 flat angles P-C4'-P energy: -55.954 tors. eta vs tors. theta energy: -89.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -946.055060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.055060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.055060 (E_RNA) where: Base-Base interactions energy: -622.173 where: short stacking energy: -307.347 Base-Backbone interact. energy: -1.244 local terms energy: -322.638593 where: bonds (distance) C4'-P energy: -69.478 bonds (distance) P-C4' energy: -64.899 flat angles C4'-P-C4' energy: -72.251 flat angles P-C4'-P energy: -40.224 tors. eta vs tors. theta energy: -75.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -889.685581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.685581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.685581 (E_RNA) where: Base-Base interactions energy: -574.267 where: short stacking energy: -257.894 Base-Backbone interact. energy: -1.222 local terms energy: -314.195807 where: bonds (distance) C4'-P energy: -61.300 bonds (distance) P-C4' energy: -77.568 flat angles C4'-P-C4' energy: -78.982 flat angles P-C4'-P energy: -41.620 tors. eta vs tors. theta energy: -54.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -699.390551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.390551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.390551 (E_RNA) where: Base-Base interactions energy: -432.384 where: short stacking energy: -188.169 Base-Backbone interact. energy: 0.361 local terms energy: -267.367760 where: bonds (distance) C4'-P energy: -55.289 bonds (distance) P-C4' energy: -70.597 flat angles C4'-P-C4' energy: -76.662 flat angles P-C4'-P energy: -39.679 tors. eta vs tors. theta energy: -25.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -523.777888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.777888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.777888 (E_RNA) where: Base-Base interactions energy: -278.367 where: short stacking energy: -159.880 Base-Backbone interact. energy: 1.380 local terms energy: -246.790716 where: bonds (distance) C4'-P energy: -74.729 bonds (distance) P-C4' energy: -68.216 flat angles C4'-P-C4' energy: -47.148 flat angles P-C4'-P energy: -31.871 tors. eta vs tors. theta energy: -24.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1446.676941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.676941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.676941 (E_RNA) where: Base-Base interactions energy: -1002.076 where: short stacking energy: -422.431 Base-Backbone interact. energy: -2.199 local terms energy: -442.402532 where: bonds (distance) C4'-P energy: -68.567 bonds (distance) P-C4' energy: -86.281 flat angles C4'-P-C4' energy: -93.642 flat angles P-C4'-P energy: -68.843 tors. eta vs tors. theta energy: -125.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1331.982901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.982901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.982901 (E_RNA) where: Base-Base interactions energy: -914.865 where: short stacking energy: -396.583 Base-Backbone interact. energy: -0.420 local terms energy: -416.697659 where: bonds (distance) C4'-P energy: -74.562 bonds (distance) P-C4' energy: -70.989 flat angles C4'-P-C4' energy: -93.918 flat angles P-C4'-P energy: -62.078 tors. eta vs tors. theta energy: -115.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1308.954573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.954573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.954573 (E_RNA) where: Base-Base interactions energy: -882.106 where: short stacking energy: -382.815 Base-Backbone interact. energy: -1.326 local terms energy: -425.522351 where: bonds (distance) C4'-P energy: -84.114 bonds (distance) P-C4' energy: -77.510 flat angles C4'-P-C4' energy: -88.371 flat angles P-C4'-P energy: -56.560 tors. eta vs tors. theta energy: -118.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1231.839891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.839891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.839891 (E_RNA) where: Base-Base interactions energy: -846.310 where: short stacking energy: -356.146 Base-Backbone interact. energy: -0.988 local terms energy: -384.542037 where: bonds (distance) C4'-P energy: -70.303 bonds (distance) P-C4' energy: -74.409 flat angles C4'-P-C4' energy: -84.093 flat angles P-C4'-P energy: -51.112 tors. eta vs tors. theta energy: -104.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1211.391837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.391837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.391837 (E_RNA) where: Base-Base interactions energy: -842.208 where: short stacking energy: -368.068 Base-Backbone interact. energy: 0.828 local terms energy: -370.012246 where: bonds (distance) C4'-P energy: -67.274 bonds (distance) P-C4' energy: -66.551 flat angles C4'-P-C4' energy: -82.791 flat angles P-C4'-P energy: -59.324 tors. eta vs tors. theta energy: -94.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1162.738259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.738259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.738259 (E_RNA) where: Base-Base interactions energy: -792.141 where: short stacking energy: -339.795 Base-Backbone interact. energy: -1.356 local terms energy: -369.241584 where: bonds (distance) C4'-P energy: -75.968 bonds (distance) P-C4' energy: -68.674 flat angles C4'-P-C4' energy: -77.598 flat angles P-C4'-P energy: -49.885 tors. eta vs tors. theta energy: -97.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -932.149297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.149297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.149297 (E_RNA) where: Base-Base interactions energy: -613.193 where: short stacking energy: -285.795 Base-Backbone interact. energy: 1.543 local terms energy: -320.499523 where: bonds (distance) C4'-P energy: -73.698 bonds (distance) P-C4' energy: -69.210 flat angles C4'-P-C4' energy: -61.525 flat angles P-C4'-P energy: -53.648 tors. eta vs tors. theta energy: -62.419 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: 8, replica: 7 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -821.965001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.965001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.965001 (E_RNA) where: Base-Base interactions energy: -513.901 where: short stacking energy: -248.663 Base-Backbone interact. energy: -0.380 local terms energy: -307.683174 where: bonds (distance) C4'-P energy: -61.253 bonds (distance) P-C4' energy: -71.045 flat angles C4'-P-C4' energy: -68.913 flat angles P-C4'-P energy: -47.558 tors. eta vs tors. theta energy: -58.914 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: 325 Temperature: 1.300000 Total energy: -692.214105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.214105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.214105 (E_RNA) where: Base-Base interactions energy: -416.133 where: short stacking energy: -196.255 Base-Backbone interact. energy: -1.393 local terms energy: -274.687623 where: bonds (distance) C4'-P energy: -68.971 bonds (distance) P-C4' energy: -71.856 flat angles C4'-P-C4' energy: -70.411 flat angles P-C4'-P energy: -46.165 tors. eta vs tors. theta energy: -17.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -490.172358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.172358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.172358 (E_RNA) where: Base-Base interactions energy: -256.026 where: short stacking energy: -147.236 Base-Backbone interact. energy: -1.708 local terms energy: -232.438087 where: bonds (distance) C4'-P energy: -62.926 bonds (distance) P-C4' energy: -59.998 flat angles C4'-P-C4' energy: -60.804 flat angles P-C4'-P energy: -36.944 tors. eta vs tors. theta energy: -11.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1419.858943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.858943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.858943 (E_RNA) where: Base-Base interactions energy: -992.142 where: short stacking energy: -435.093 Base-Backbone interact. energy: -2.962 local terms energy: -424.755391 where: bonds (distance) C4'-P energy: -60.557 bonds (distance) P-C4' energy: -80.563 flat angles C4'-P-C4' energy: -88.244 flat angles P-C4'-P energy: -67.940 tors. eta vs tors. theta energy: -127.451 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: 2, replica: 10 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1346.449178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.449178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.449178 (E_RNA) where: Base-Base interactions energy: -928.784 where: short stacking energy: -396.983 Base-Backbone interact. energy: 1.057 local terms energy: -418.721797 where: bonds (distance) C4'-P energy: -73.558 bonds (distance) P-C4' energy: -79.016 flat angles C4'-P-C4' energy: -87.196 flat angles P-C4'-P energy: -59.827 tors. eta vs tors. theta energy: -119.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1289.952605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.952605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.952605 (E_RNA) where: Base-Base interactions energy: -893.877 where: short stacking energy: -384.978 Base-Backbone interact. energy: -0.840 local terms energy: -395.236152 where: bonds (distance) C4'-P energy: -80.079 bonds (distance) P-C4' energy: -63.599 flat angles C4'-P-C4' energy: -79.619 flat angles P-C4'-P energy: -54.587 tors. eta vs tors. theta energy: -117.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1248.598998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.598998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.598998 (E_RNA) where: Base-Base interactions energy: -839.152 where: short stacking energy: -378.332 Base-Backbone interact. energy: -1.241 local terms energy: -408.206263 where: bonds (distance) C4'-P energy: -71.490 bonds (distance) P-C4' energy: -78.748 flat angles C4'-P-C4' energy: -89.603 flat angles P-C4'-P energy: -56.469 tors. eta vs tors. theta energy: -111.897 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: 8 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1174.515706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.515706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.515706 (E_RNA) where: Base-Base interactions energy: -785.152 where: short stacking energy: -327.914 Base-Backbone interact. energy: -1.113 local terms energy: -388.249968 where: bonds (distance) C4'-P energy: -74.435 bonds (distance) P-C4' energy: -84.968 flat angles C4'-P-C4' energy: -82.074 flat angles P-C4'-P energy: -52.312 tors. eta vs tors. theta energy: -94.461 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: 326 Temperature: 1.150000 Total energy: -1115.094741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.094741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.094741 (E_RNA) where: Base-Base interactions energy: -768.511 where: short stacking energy: -328.324 Base-Backbone interact. energy: 4.884 local terms energy: -351.467742 where: bonds (distance) C4'-P energy: -76.048 bonds (distance) P-C4' energy: -60.331 flat angles C4'-P-C4' energy: -73.005 flat angles P-C4'-P energy: -52.875 tors. eta vs tors. theta energy: -89.208 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: 4 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -957.754510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.754510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.754510 (E_RNA) where: Base-Base interactions energy: -657.213 where: short stacking energy: -296.410 Base-Backbone interact. energy: 1.305 local terms energy: -301.846975 where: bonds (distance) C4'-P energy: -55.623 bonds (distance) P-C4' energy: -57.780 flat angles C4'-P-C4' energy: -62.119 flat angles P-C4'-P energy: -56.722 tors. eta vs tors. theta energy: -69.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -818.546637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.546637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.546637 (E_RNA) where: Base-Base interactions energy: -526.147 where: short stacking energy: -248.904 Base-Backbone interact. energy: -0.918 local terms energy: -291.481286 where: bonds (distance) C4'-P energy: -64.646 bonds (distance) P-C4' energy: -61.601 flat angles C4'-P-C4' energy: -70.787 flat angles P-C4'-P energy: -44.441 tors. eta vs tors. theta energy: -50.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -623.789869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.789869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.789869 (E_RNA) where: Base-Base interactions energy: -360.894 where: short stacking energy: -177.229 Base-Backbone interact. energy: -1.192 local terms energy: -261.703900 where: bonds (distance) C4'-P energy: -58.318 bonds (distance) P-C4' energy: -71.572 flat angles C4'-P-C4' energy: -69.473 flat angles P-C4'-P energy: -42.755 tors. eta vs tors. theta energy: -19.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -479.751536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.751536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.751536 (E_RNA) where: Base-Base interactions energy: -242.095 where: short stacking energy: -139.838 Base-Backbone interact. energy: -0.109 local terms energy: -237.548144 where: bonds (distance) C4'-P energy: -70.519 bonds (distance) P-C4' energy: -52.868 flat angles C4'-P-C4' energy: -65.701 flat angles P-C4'-P energy: -35.542 tors. eta vs tors. theta energy: -12.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1416.680983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.680983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.680983 (E_RNA) where: Base-Base interactions energy: -985.243 where: short stacking energy: -414.463 Base-Backbone interact. energy: -1.563 local terms energy: -429.875020 where: bonds (distance) C4'-P energy: -73.096 bonds (distance) P-C4' energy: -71.483 flat angles C4'-P-C4' energy: -96.827 flat angles P-C4'-P energy: -63.439 tors. eta vs tors. theta energy: -125.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1350.598870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.598870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.598870 (E_RNA) where: Base-Base interactions energy: -938.375 where: short stacking energy: -401.719 Base-Backbone interact. energy: -2.438 local terms energy: -409.786205 where: bonds (distance) C4'-P energy: -73.646 bonds (distance) P-C4' energy: -80.583 flat angles C4'-P-C4' energy: -87.776 flat angles P-C4'-P energy: -58.412 tors. eta vs tors. theta energy: -109.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1283.695288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.695288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.695288 (E_RNA) where: Base-Base interactions energy: -892.606 where: short stacking energy: -388.775 Base-Backbone interact. energy: 1.290 local terms energy: -392.379082 where: bonds (distance) C4'-P energy: -75.479 bonds (distance) P-C4' energy: -73.988 flat angles C4'-P-C4' energy: -83.543 flat angles P-C4'-P energy: -48.159 tors. eta vs tors. theta energy: -111.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1253.083527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.083527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.083527 (E_RNA) where: Base-Base interactions energy: -872.069 where: short stacking energy: -384.393 Base-Backbone interact. energy: -1.163 local terms energy: -379.851387 where: bonds (distance) C4'-P energy: -64.445 bonds (distance) P-C4' energy: -72.236 flat angles C4'-P-C4' energy: -86.673 flat angles P-C4'-P energy: -49.414 tors. eta vs tors. theta energy: -107.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1155.072018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.072018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.072018 (E_RNA) where: Base-Base interactions energy: -798.419 where: short stacking energy: -323.802 Base-Backbone interact. energy: -0.702 local terms energy: -355.951359 where: bonds (distance) C4'-P energy: -88.487 bonds (distance) P-C4' energy: -59.558 flat angles C4'-P-C4' energy: -73.375 flat angles P-C4'-P energy: -49.180 tors. eta vs tors. theta energy: -85.352 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: 3 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1142.720347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.720347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.720347 (E_RNA) where: Base-Base interactions energy: -786.672 where: short stacking energy: -337.261 Base-Backbone interact. energy: -1.737 local terms energy: -354.311450 where: bonds (distance) C4'-P energy: -69.091 bonds (distance) P-C4' energy: -71.411 flat angles C4'-P-C4' energy: -79.049 flat angles P-C4'-P energy: -44.267 tors. eta vs tors. theta energy: -90.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -942.701251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.701251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.701251 (E_RNA) where: Base-Base interactions energy: -619.376 where: short stacking energy: -296.051 Base-Backbone interact. energy: -0.534 local terms energy: -322.790776 where: bonds (distance) C4'-P energy: -66.596 bonds (distance) P-C4' energy: -67.584 flat angles C4'-P-C4' energy: -75.354 flat angles P-C4'-P energy: -46.173 tors. eta vs tors. theta energy: -67.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -800.309304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.309304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.309304 (E_RNA) where: Base-Base interactions energy: -507.214 where: short stacking energy: -240.057 Base-Backbone interact. energy: -0.202 local terms energy: -292.893676 where: bonds (distance) C4'-P energy: -66.457 bonds (distance) P-C4' energy: -73.104 flat angles C4'-P-C4' energy: -69.622 flat angles P-C4'-P energy: -30.742 tors. eta vs tors. theta energy: -52.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -537.103165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.103165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.103165 (E_RNA) where: Base-Base interactions energy: -280.551 where: short stacking energy: -161.450 Base-Backbone interact. energy: 1.360 local terms energy: -257.912461 where: bonds (distance) C4'-P energy: -76.198 bonds (distance) P-C4' energy: -59.416 flat angles C4'-P-C4' energy: -69.061 flat angles P-C4'-P energy: -32.209 tors. eta vs tors. theta energy: -21.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -567.740242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.740242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.740242 (E_RNA) where: Base-Base interactions energy: -351.334 where: short stacking energy: -169.915 Base-Backbone interact. energy: 1.220 local terms energy: -217.626953 where: bonds (distance) C4'-P energy: -52.275 bonds (distance) P-C4' energy: -40.898 flat angles C4'-P-C4' energy: -59.770 flat angles P-C4'-P energy: -41.237 tors. eta vs tors. theta energy: -23.447 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: 9 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1416.857741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.857741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.857741 (E_RNA) where: Base-Base interactions energy: -972.710 where: short stacking energy: -427.492 Base-Backbone interact. energy: -3.215 local terms energy: -440.932490 where: bonds (distance) C4'-P energy: -72.961 bonds (distance) P-C4' energy: -83.927 flat angles C4'-P-C4' energy: -91.090 flat angles P-C4'-P energy: -71.578 tors. eta vs tors. theta energy: -121.375 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: 2, replica: 10 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1344.907984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.907984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.907984 (E_RNA) where: Base-Base interactions energy: -918.012 where: short stacking energy: -392.229 Base-Backbone interact. energy: -0.295 local terms energy: -426.600503 where: bonds (distance) C4'-P energy: -77.633 bonds (distance) P-C4' energy: -86.494 flat angles C4'-P-C4' energy: -89.996 flat angles P-C4'-P energy: -65.293 tors. eta vs tors. theta energy: -107.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1284.398526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.398526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.398526 (E_RNA) where: Base-Base interactions energy: -873.143 where: short stacking energy: -388.322 Base-Backbone interact. energy: -1.347 local terms energy: -409.907886 where: bonds (distance) C4'-P energy: -73.369 bonds (distance) P-C4' energy: -72.909 flat angles C4'-P-C4' energy: -84.097 flat angles P-C4'-P energy: -68.437 tors. eta vs tors. theta energy: -111.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1240.528071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.528071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.528071 (E_RNA) where: Base-Base interactions energy: -842.974 where: short stacking energy: -375.027 Base-Backbone interact. energy: 1.002 local terms energy: -398.555762 where: bonds (distance) C4'-P energy: -75.141 bonds (distance) P-C4' energy: -74.587 flat angles C4'-P-C4' energy: -83.946 flat angles P-C4'-P energy: -52.060 tors. eta vs tors. theta energy: -112.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1180.016631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.016631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.016631 (E_RNA) where: Base-Base interactions energy: -828.359 where: short stacking energy: -333.804 Base-Backbone interact. energy: 4.503 local terms energy: -356.160346 where: bonds (distance) C4'-P energy: -63.347 bonds (distance) P-C4' energy: -73.409 flat angles C4'-P-C4' energy: -72.265 flat angles P-C4'-P energy: -53.881 tors. eta vs tors. theta energy: -93.258 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: 328 Temperature: 1.150000 Total energy: -1153.986819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.986819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.986819 (E_RNA) where: Base-Base interactions energy: -785.722 where: short stacking energy: -327.251 Base-Backbone interact. energy: -2.179 local terms energy: -366.085226 where: bonds (distance) C4'-P energy: -71.064 bonds (distance) P-C4' energy: -71.499 flat angles C4'-P-C4' energy: -77.889 flat angles P-C4'-P energy: -51.918 tors. eta vs tors. theta energy: -93.716 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: 4 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -928.295760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.295760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.295760 (E_RNA) where: Base-Base interactions energy: -617.853 where: short stacking energy: -286.462 Base-Backbone interact. energy: -2.795 local terms energy: -307.647333 where: bonds (distance) C4'-P energy: -66.395 bonds (distance) P-C4' energy: -73.523 flat angles C4'-P-C4' energy: -69.476 flat angles P-C4'-P energy: -32.767 tors. eta vs tors. theta energy: -65.485 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: 8, replica: 7 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -797.829341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.829341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.829341 (E_RNA) where: Base-Base interactions energy: -503.630 where: short stacking energy: -237.318 Base-Backbone interact. energy: -1.678 local terms energy: -292.521369 where: bonds (distance) C4'-P energy: -69.374 bonds (distance) P-C4' energy: -64.761 flat angles C4'-P-C4' energy: -69.948 flat angles P-C4'-P energy: -40.699 tors. eta vs tors. theta energy: -47.740 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: 2 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -642.899753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.899753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.899753 (E_RNA) where: Base-Base interactions energy: -371.481 where: short stacking energy: -194.764 Base-Backbone interact. energy: -1.277 local terms energy: -270.141829 where: bonds (distance) C4'-P energy: -66.883 bonds (distance) P-C4' energy: -70.912 flat angles C4'-P-C4' energy: -72.407 flat angles P-C4'-P energy: -35.399 tors. eta vs tors. theta energy: -24.541 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: 10, replica: 1 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -519.010033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.010033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.010033 (E_RNA) where: Base-Base interactions energy: -287.070 where: short stacking energy: -167.470 Base-Backbone interact. energy: -0.106 local terms energy: -231.833813 where: bonds (distance) C4'-P energy: -48.890 bonds (distance) P-C4' energy: -68.904 flat angles C4'-P-C4' energy: -50.858 flat angles P-C4'-P energy: -36.131 tors. eta vs tors. theta energy: -27.051 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: 9 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1387.409444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.409444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.409444 (E_RNA) where: Base-Base interactions energy: -970.721 where: short stacking energy: -404.655 Base-Backbone interact. energy: 0.195 local terms energy: -416.883411 where: bonds (distance) C4'-P energy: -82.017 bonds (distance) P-C4' energy: -78.907 flat angles C4'-P-C4' energy: -88.815 flat angles P-C4'-P energy: -59.004 tors. eta vs tors. theta energy: -108.140 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: 2, replica: 10 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1370.478228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.478228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.478228 (E_RNA) where: Base-Base interactions energy: -962.950 where: short stacking energy: -416.971 Base-Backbone interact. energy: 0.514 local terms energy: -408.042653 where: bonds (distance) C4'-P energy: -67.406 bonds (distance) P-C4' energy: -75.560 flat angles C4'-P-C4' energy: -94.353 flat angles P-C4'-P energy: -51.114 tors. eta vs tors. theta energy: -119.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1270.754281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.754281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.754281 (E_RNA) where: Base-Base interactions energy: -874.325 where: short stacking energy: -381.279 Base-Backbone interact. energy: -2.555 local terms energy: -393.874724 where: bonds (distance) C4'-P energy: -64.538 bonds (distance) P-C4' energy: -80.658 flat angles C4'-P-C4' energy: -86.270 flat angles P-C4'-P energy: -57.253 tors. eta vs tors. theta energy: -105.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1232.249008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.249008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.249008 (E_RNA) where: Base-Base interactions energy: -861.383 where: short stacking energy: -363.781 Base-Backbone interact. energy: -0.452 local terms energy: -370.414564 where: bonds (distance) C4'-P energy: -65.052 bonds (distance) P-C4' energy: -75.965 flat angles C4'-P-C4' energy: -77.634 flat angles P-C4'-P energy: -53.094 tors. eta vs tors. theta energy: -98.671 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: 5 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1201.033763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.033763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.033763 (E_RNA) where: Base-Base interactions energy: -815.663 where: short stacking energy: -334.823 Base-Backbone interact. energy: -0.309 local terms energy: -385.062379 where: bonds (distance) C4'-P energy: -74.778 bonds (distance) P-C4' energy: -71.643 flat angles C4'-P-C4' energy: -86.345 flat angles P-C4'-P energy: -62.675 tors. eta vs tors. theta energy: -89.622 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: 3 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1088.756409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.756409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.756409 (E_RNA) where: Base-Base interactions energy: -754.444 where: short stacking energy: -326.566 Base-Backbone interact. energy: 1.094 local terms energy: -335.406611 where: bonds (distance) C4'-P energy: -65.410 bonds (distance) P-C4' energy: -72.489 flat angles C4'-P-C4' energy: -65.188 flat angles P-C4'-P energy: -52.750 tors. eta vs tors. theta energy: -79.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -936.373806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.373806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.373806 (E_RNA) where: Base-Base interactions energy: -612.190 where: short stacking energy: -272.666 Base-Backbone interact. energy: -3.216 local terms energy: -320.967965 where: bonds (distance) C4'-P energy: -74.238 bonds (distance) P-C4' energy: -64.327 flat angles C4'-P-C4' energy: -71.443 flat angles P-C4'-P energy: -43.432 tors. eta vs tors. theta energy: -67.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -799.935137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.935137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.935137 (E_RNA) where: Base-Base interactions energy: -500.225 where: short stacking energy: -234.212 Base-Backbone interact. energy: -1.291 local terms energy: -298.418441 where: bonds (distance) C4'-P energy: -53.767 bonds (distance) P-C4' energy: -72.052 flat angles C4'-P-C4' energy: -73.232 flat angles P-C4'-P energy: -49.465 tors. eta vs tors. theta energy: -49.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -618.931260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.931260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.931260 (E_RNA) where: Base-Base interactions energy: -368.543 where: short stacking energy: -170.171 Base-Backbone interact. energy: -2.499 local terms energy: -247.889741 where: bonds (distance) C4'-P energy: -63.023 bonds (distance) P-C4' energy: -61.221 flat angles C4'-P-C4' energy: -62.504 flat angles P-C4'-P energy: -37.787 tors. eta vs tors. theta energy: -23.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -515.711377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.711377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.711377 (E_RNA) where: Base-Base interactions energy: -275.540 where: short stacking energy: -146.039 Base-Backbone interact. energy: -2.144 local terms energy: -238.027921 where: bonds (distance) C4'-P energy: -68.108 bonds (distance) P-C4' energy: -74.157 flat angles C4'-P-C4' energy: -60.816 flat angles P-C4'-P energy: -32.719 tors. eta vs tors. theta energy: -2.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1412.544990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.544990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.544990 (E_RNA) where: Base-Base interactions energy: -977.829 where: short stacking energy: -414.187 Base-Backbone interact. energy: -2.317 local terms energy: -432.399029 where: bonds (distance) C4'-P energy: -78.740 bonds (distance) P-C4' energy: -73.525 flat angles C4'-P-C4' energy: -87.854 flat angles P-C4'-P energy: -69.045 tors. eta vs tors. theta energy: -123.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1346.807379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.807379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.807379 (E_RNA) where: Base-Base interactions energy: -935.268 where: short stacking energy: -391.407 Base-Backbone interact. energy: -2.204 local terms energy: -409.335615 where: bonds (distance) C4'-P energy: -79.125 bonds (distance) P-C4' energy: -77.810 flat angles C4'-P-C4' energy: -85.343 flat angles P-C4'-P energy: -58.383 tors. eta vs tors. theta energy: -108.675 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: 6 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1279.581555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.581555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.581555 (E_RNA) where: Base-Base interactions energy: -886.550 where: short stacking energy: -384.622 Base-Backbone interact. energy: -1.104 local terms energy: -391.926977 where: bonds (distance) C4'-P energy: -77.814 bonds (distance) P-C4' energy: -67.203 flat angles C4'-P-C4' energy: -84.372 flat angles P-C4'-P energy: -56.334 tors. eta vs tors. theta energy: -106.204 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: 8 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1246.636927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.636927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.636927 (E_RNA) where: Base-Base interactions energy: -881.531 where: short stacking energy: -357.692 Base-Backbone interact. energy: -2.508 local terms energy: -362.598196 where: bonds (distance) C4'-P energy: -69.442 bonds (distance) P-C4' energy: -68.754 flat angles C4'-P-C4' energy: -72.206 flat angles P-C4'-P energy: -53.977 tors. eta vs tors. theta energy: -98.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1178.157390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.157390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.157390 (E_RNA) where: Base-Base interactions energy: -824.297 where: short stacking energy: -329.926 Base-Backbone interact. energy: 0.530 local terms energy: -354.390666 where: bonds (distance) C4'-P energy: -74.026 bonds (distance) P-C4' energy: -62.775 flat angles C4'-P-C4' energy: -71.297 flat angles P-C4'-P energy: -51.478 tors. eta vs tors. theta energy: -94.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1118.370025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.370025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.370025 (E_RNA) where: Base-Base interactions energy: -772.518 where: short stacking energy: -330.254 Base-Backbone interact. energy: -3.724 local terms energy: -342.127740 where: bonds (distance) C4'-P energy: -54.073 bonds (distance) P-C4' energy: -68.569 flat angles C4'-P-C4' energy: -87.845 flat angles P-C4'-P energy: -51.177 tors. eta vs tors. theta energy: -80.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -825.991266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.991266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.991266 (E_RNA) where: Base-Base interactions energy: -531.417 where: short stacking energy: -270.350 Base-Backbone interact. energy: -1.131 local terms energy: -293.443460 where: bonds (distance) C4'-P energy: -59.315 bonds (distance) P-C4' energy: -55.615 flat angles C4'-P-C4' energy: -80.656 flat angles P-C4'-P energy: -46.360 tors. eta vs tors. theta energy: -51.497 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: 4 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -890.294715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.294715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.294715 (E_RNA) where: Base-Base interactions energy: -581.381 where: short stacking energy: -276.442 Base-Backbone interact. energy: 0.869 local terms energy: -309.782111 where: bonds (distance) C4'-P energy: -59.065 bonds (distance) P-C4' energy: -77.671 flat angles C4'-P-C4' energy: -71.823 flat angles P-C4'-P energy: -44.034 tors. eta vs tors. theta energy: -57.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -595.586105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.586105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.586105 (E_RNA) where: Base-Base interactions energy: -336.921 where: short stacking energy: -159.797 Base-Backbone interact. energy: -1.556 local terms energy: -257.109268 where: bonds (distance) C4'-P energy: -65.470 bonds (distance) P-C4' energy: -72.640 flat angles C4'-P-C4' energy: -51.362 flat angles P-C4'-P energy: -49.946 tors. eta vs tors. theta energy: -17.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -515.549234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.549234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.549234 (E_RNA) where: Base-Base interactions energy: -288.988 where: short stacking energy: -150.284 Base-Backbone interact. energy: -1.609 local terms energy: -224.952051 where: bonds (distance) C4'-P energy: -53.777 bonds (distance) P-C4' energy: -64.054 flat angles C4'-P-C4' energy: -59.916 flat angles P-C4'-P energy: -34.279 tors. eta vs tors. theta energy: -12.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1427.697785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.697785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.697785 (E_RNA) where: Base-Base interactions energy: -982.876 where: short stacking energy: -447.488 Base-Backbone interact. energy: -2.994 local terms energy: -441.827838 where: bonds (distance) C4'-P energy: -79.068 bonds (distance) P-C4' energy: -79.741 flat angles C4'-P-C4' energy: -87.424 flat angles P-C4'-P energy: -65.717 tors. eta vs tors. theta energy: -129.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1351.880442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.880442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.880442 (E_RNA) where: Base-Base interactions energy: -931.251 where: short stacking energy: -395.815 Base-Backbone interact. energy: -1.652 local terms energy: -418.977808 where: bonds (distance) C4'-P energy: -73.762 bonds (distance) P-C4' energy: -76.710 flat angles C4'-P-C4' energy: -86.385 flat angles P-C4'-P energy: -67.704 tors. eta vs tors. theta energy: -114.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1280.191955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.191955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.191955 (E_RNA) where: Base-Base interactions energy: -862.354 where: short stacking energy: -380.659 Base-Backbone interact. energy: -1.122 local terms energy: -416.715666 where: bonds (distance) C4'-P energy: -64.170 bonds (distance) P-C4' energy: -86.546 flat angles C4'-P-C4' energy: -94.622 flat angles P-C4'-P energy: -59.757 tors. eta vs tors. theta energy: -111.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1232.879802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.879802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.879802 (E_RNA) where: Base-Base interactions energy: -870.758 where: short stacking energy: -365.958 Base-Backbone interact. energy: 4.027 local terms energy: -366.149636 where: bonds (distance) C4'-P energy: -70.121 bonds (distance) P-C4' energy: -71.306 flat angles C4'-P-C4' energy: -78.674 flat angles P-C4'-P energy: -54.850 tors. eta vs tors. theta energy: -91.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1219.691328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.691328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.691328 (E_RNA) where: Base-Base interactions energy: -823.811 where: short stacking energy: -364.640 Base-Backbone interact. energy: -2.640 local terms energy: -393.240503 where: bonds (distance) C4'-P energy: -70.268 bonds (distance) P-C4' energy: -73.378 flat angles C4'-P-C4' energy: -85.982 flat angles P-C4'-P energy: -54.464 tors. eta vs tors. theta energy: -109.149 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: 331 Temperature: 1.150000 Total energy: -1139.166037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.166037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.166037 (E_RNA) where: Base-Base interactions energy: -779.855 where: short stacking energy: -348.891 Base-Backbone interact. energy: 0.495 local terms energy: -359.805725 where: bonds (distance) C4'-P energy: -73.320 bonds (distance) P-C4' energy: -76.023 flat angles C4'-P-C4' energy: -71.460 flat angles P-C4'-P energy: -43.960 tors. eta vs tors. theta energy: -95.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -869.103040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.103040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.103040 (E_RNA) where: Base-Base interactions energy: -571.650 where: short stacking energy: -244.859 Base-Backbone interact. energy: 3.880 local terms energy: -301.333477 where: bonds (distance) C4'-P energy: -70.316 bonds (distance) P-C4' energy: -73.101 flat angles C4'-P-C4' energy: -64.695 flat angles P-C4'-P energy: -43.851 tors. eta vs tors. theta energy: -49.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -898.074251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.074251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.074251 (E_RNA) where: Base-Base interactions energy: -603.825 where: short stacking energy: -269.868 Base-Backbone interact. energy: 0.690 local terms energy: -294.939208 where: bonds (distance) C4'-P energy: -75.516 bonds (distance) P-C4' energy: -58.193 flat angles C4'-P-C4' energy: -58.567 flat angles P-C4'-P energy: -40.234 tors. eta vs tors. theta energy: -62.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -580.346444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.346444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.346444 (E_RNA) where: Base-Base interactions energy: -342.778 where: short stacking energy: -180.423 Base-Backbone interact. energy: 0.261 local terms energy: -237.829120 where: bonds (distance) C4'-P energy: -49.171 bonds (distance) P-C4' energy: -51.799 flat angles C4'-P-C4' energy: -71.987 flat angles P-C4'-P energy: -41.042 tors. eta vs tors. theta energy: -23.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -460.373225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.373225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.373225 (E_RNA) where: Base-Base interactions energy: -217.348 where: short stacking energy: -135.942 Base-Backbone interact. energy: 0.821 local terms energy: -243.846729 where: bonds (distance) C4'-P energy: -60.216 bonds (distance) P-C4' energy: -64.097 flat angles C4'-P-C4' energy: -58.936 flat angles P-C4'-P energy: -48.448 tors. eta vs tors. theta energy: -12.150 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: 9 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1424.845018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.845018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.845018 (E_RNA) where: Base-Base interactions energy: -984.735 where: short stacking energy: -420.585 Base-Backbone interact. energy: -0.527 local terms energy: -439.583702 where: bonds (distance) C4'-P energy: -80.310 bonds (distance) P-C4' energy: -78.227 flat angles C4'-P-C4' energy: -96.089 flat angles P-C4'-P energy: -63.723 tors. eta vs tors. theta energy: -121.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1369.848673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.848673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.848673 (E_RNA) where: Base-Base interactions energy: -972.577 where: short stacking energy: -402.748 Base-Backbone interact. energy: 1.384 local terms energy: -398.655550 where: bonds (distance) C4'-P energy: -68.559 bonds (distance) P-C4' energy: -78.421 flat angles C4'-P-C4' energy: -88.574 flat angles P-C4'-P energy: -55.402 tors. eta vs tors. theta energy: -107.700 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: 3, replica: 8 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1266.405584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.405584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.405584 (E_RNA) where: Base-Base interactions energy: -892.761 where: short stacking energy: -385.595 Base-Backbone interact. energy: -0.885 local terms energy: -372.758882 where: bonds (distance) C4'-P energy: -62.652 bonds (distance) P-C4' energy: -65.792 flat angles C4'-P-C4' energy: -87.968 flat angles P-C4'-P energy: -52.779 tors. eta vs tors. theta energy: -103.568 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: 6 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1249.739572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.739572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.739572 (E_RNA) where: Base-Base interactions energy: -858.771 where: short stacking energy: -388.709 Base-Backbone interact. energy: -1.622 local terms energy: -389.345854 where: bonds (distance) C4'-P energy: -74.675 bonds (distance) P-C4' energy: -72.778 flat angles C4'-P-C4' energy: -80.688 flat angles P-C4'-P energy: -49.971 tors. eta vs tors. theta energy: -111.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1199.557141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.557141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.557141 (E_RNA) where: Base-Base interactions energy: -822.884 where: short stacking energy: -344.467 Base-Backbone interact. energy: -0.537 local terms energy: -376.135284 where: bonds (distance) C4'-P energy: -69.126 bonds (distance) P-C4' energy: -80.830 flat angles C4'-P-C4' energy: -75.899 flat angles P-C4'-P energy: -47.601 tors. eta vs tors. theta energy: -102.679 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: 3 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1092.998874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.998874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.998874 (E_RNA) where: Base-Base interactions energy: -754.580 where: short stacking energy: -325.040 Base-Backbone interact. energy: -2.129 local terms energy: -336.289754 where: bonds (distance) C4'-P energy: -61.501 bonds (distance) P-C4' energy: -82.176 flat angles C4'-P-C4' energy: -72.241 flat angles P-C4'-P energy: -33.219 tors. eta vs tors. theta energy: -87.153 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: 4 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -918.282082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.282082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.282082 (E_RNA) where: Base-Base interactions energy: -596.803 where: short stacking energy: -272.217 Base-Backbone interact. energy: -2.018 local terms energy: -319.461366 where: bonds (distance) C4'-P energy: -50.344 bonds (distance) P-C4' energy: -77.039 flat angles C4'-P-C4' energy: -73.081 flat angles P-C4'-P energy: -51.025 tors. eta vs tors. theta energy: -67.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -824.444268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.444268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.444268 (E_RNA) where: Base-Base interactions energy: -537.215 where: short stacking energy: -239.885 Base-Backbone interact. energy: -0.494 local terms energy: -286.735669 where: bonds (distance) C4'-P energy: -64.606 bonds (distance) P-C4' energy: -78.825 flat angles C4'-P-C4' energy: -58.594 flat angles P-C4'-P energy: -33.367 tors. eta vs tors. theta energy: -51.345 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: 2 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -556.401908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.401908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.401908 (E_RNA) where: Base-Base interactions energy: -331.786 where: short stacking energy: -178.940 Base-Backbone interact. energy: 4.284 local terms energy: -228.900077 where: bonds (distance) C4'-P energy: -77.438 bonds (distance) P-C4' energy: -72.399 flat angles C4'-P-C4' energy: -51.328 flat angles P-C4'-P energy: -26.894 tors. eta vs tors. theta energy: -0.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -462.222659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.222659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.222659 (E_RNA) where: Base-Base interactions energy: -258.070 where: short stacking energy: -136.762 Base-Backbone interact. energy: -2.688 local terms energy: -201.464356 where: bonds (distance) C4'-P energy: -61.045 bonds (distance) P-C4' energy: -62.371 flat angles C4'-P-C4' energy: -48.065 flat angles P-C4'-P energy: -35.602 tors. eta vs tors. theta energy: 5.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1435.251238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.251238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.251238 (E_RNA) where: Base-Base interactions energy: -989.356 where: short stacking energy: -417.733 Base-Backbone interact. energy: -0.825 local terms energy: -445.071055 where: bonds (distance) C4'-P energy: -76.579 bonds (distance) P-C4' energy: -85.099 flat angles C4'-P-C4' energy: -93.745 flat angles P-C4'-P energy: -60.161 tors. eta vs tors. theta energy: -129.487 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: 2, replica: 10 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1362.683383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.683383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.683383 (E_RNA) where: Base-Base interactions energy: -946.419 where: short stacking energy: -380.511 Base-Backbone interact. energy: -1.230 local terms energy: -415.033908 where: bonds (distance) C4'-P energy: -84.141 bonds (distance) P-C4' energy: -81.055 flat angles C4'-P-C4' energy: -88.055 flat angles P-C4'-P energy: -56.060 tors. eta vs tors. theta energy: -105.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1268.193035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.193035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.193035 (E_RNA) where: Base-Base interactions energy: -888.460 where: short stacking energy: -353.579 Base-Backbone interact. energy: -1.406 local terms energy: -378.326990 where: bonds (distance) C4'-P energy: -70.167 bonds (distance) P-C4' energy: -81.014 flat angles C4'-P-C4' energy: -78.241 flat angles P-C4'-P energy: -54.003 tors. eta vs tors. theta energy: -94.902 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: 6 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1239.930713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.930713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.930713 (E_RNA) where: Base-Base interactions energy: -855.890 where: short stacking energy: -378.708 Base-Backbone interact. energy: -1.281 local terms energy: -382.759430 where: bonds (distance) C4'-P energy: -64.016 bonds (distance) P-C4' energy: -66.383 flat angles C4'-P-C4' energy: -78.984 flat angles P-C4'-P energy: -65.078 tors. eta vs tors. theta energy: -108.298 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: 5 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1235.333115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.333115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.333115 (E_RNA) where: Base-Base interactions energy: -853.439 where: short stacking energy: -369.773 Base-Backbone interact. energy: -2.047 local terms energy: -379.847162 where: bonds (distance) C4'-P energy: -63.440 bonds (distance) P-C4' energy: -73.124 flat angles C4'-P-C4' energy: -75.555 flat angles P-C4'-P energy: -61.415 tors. eta vs tors. theta energy: -106.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1041.329007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.329007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.329007 (E_RNA) where: Base-Base interactions energy: -699.154 where: short stacking energy: -305.685 Base-Backbone interact. energy: -1.331 local terms energy: -340.844266 where: bonds (distance) C4'-P energy: -70.329 bonds (distance) P-C4' energy: -61.191 flat angles C4'-P-C4' energy: -77.371 flat angles P-C4'-P energy: -54.860 tors. eta vs tors. theta energy: -77.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -952.069150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.069150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.069150 (E_RNA) where: Base-Base interactions energy: -613.158 where: short stacking energy: -284.619 Base-Backbone interact. energy: -0.067 local terms energy: -338.845038 where: bonds (distance) C4'-P energy: -74.328 bonds (distance) P-C4' energy: -69.678 flat angles C4'-P-C4' energy: -75.442 flat angles P-C4'-P energy: -51.772 tors. eta vs tors. theta energy: -67.625 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: 7 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -869.118371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.118371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.118371 (E_RNA) where: Base-Base interactions energy: -576.514 where: short stacking energy: -227.773 Base-Backbone interact. energy: -2.850 local terms energy: -289.754462 where: bonds (distance) C4'-P energy: -55.878 bonds (distance) P-C4' energy: -57.968 flat angles C4'-P-C4' energy: -69.489 flat angles P-C4'-P energy: -46.815 tors. eta vs tors. theta energy: -59.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -546.998726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.998726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.998726 (E_RNA) where: Base-Base interactions energy: -310.917 where: short stacking energy: -150.816 Base-Backbone interact. energy: -3.308 local terms energy: -232.773749 where: bonds (distance) C4'-P energy: -73.788 bonds (distance) P-C4' energy: -63.342 flat angles C4'-P-C4' energy: -46.151 flat angles P-C4'-P energy: -35.623 tors. eta vs tors. theta energy: -13.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -526.313029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.313029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.313029 (E_RNA) where: Base-Base interactions energy: -297.241 where: short stacking energy: -152.231 Base-Backbone interact. energy: -1.668 local terms energy: -227.403887 where: bonds (distance) C4'-P energy: -73.051 bonds (distance) P-C4' energy: -60.454 flat angles C4'-P-C4' energy: -54.467 flat angles P-C4'-P energy: -35.000 tors. eta vs tors. theta energy: -4.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1440.300836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.300836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.300836 (E_RNA) where: Base-Base interactions energy: -979.309 where: short stacking energy: -431.328 Base-Backbone interact. energy: -0.329 local terms energy: -460.663137 where: bonds (distance) C4'-P energy: -81.301 bonds (distance) P-C4' energy: -80.293 flat angles C4'-P-C4' energy: -96.497 flat angles P-C4'-P energy: -68.638 tors. eta vs tors. theta energy: -133.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1361.393309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.393309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.393309 (E_RNA) where: Base-Base interactions energy: -950.947 where: short stacking energy: -410.983 Base-Backbone interact. energy: -0.603 local terms energy: -409.844001 where: bonds (distance) C4'-P energy: -70.862 bonds (distance) P-C4' energy: -71.421 flat angles C4'-P-C4' energy: -97.029 flat angles P-C4'-P energy: -53.322 tors. eta vs tors. theta energy: -117.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1276.162997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.162997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.162997 (E_RNA) where: Base-Base interactions energy: -879.783 where: short stacking energy: -378.514 Base-Backbone interact. energy: -1.911 local terms energy: -394.468699 where: bonds (distance) C4'-P energy: -72.757 bonds (distance) P-C4' energy: -76.114 flat angles C4'-P-C4' energy: -90.788 flat angles P-C4'-P energy: -55.223 tors. eta vs tors. theta energy: -99.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1256.315948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.315948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.315948 (E_RNA) where: Base-Base interactions energy: -868.770 where: short stacking energy: -362.687 Base-Backbone interact. energy: -2.462 local terms energy: -385.083803 where: bonds (distance) C4'-P energy: -83.122 bonds (distance) P-C4' energy: -72.623 flat angles C4'-P-C4' energy: -80.132 flat angles P-C4'-P energy: -50.522 tors. eta vs tors. theta energy: -98.684 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: 5 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1221.139211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.139211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.139211 (E_RNA) where: Base-Base interactions energy: -839.014 where: short stacking energy: -355.362 Base-Backbone interact. energy: -2.653 local terms energy: -379.471817 where: bonds (distance) C4'-P energy: -69.537 bonds (distance) P-C4' energy: -71.657 flat angles C4'-P-C4' energy: -79.502 flat angles P-C4'-P energy: -56.214 tors. eta vs tors. theta energy: -102.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1086.473676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.473676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.473676 (E_RNA) where: Base-Base interactions energy: -743.542 where: short stacking energy: -338.666 Base-Backbone interact. energy: -1.995 local terms energy: -340.936828 where: bonds (distance) C4'-P energy: -65.955 bonds (distance) P-C4' energy: -63.360 flat angles C4'-P-C4' energy: -73.718 flat angles P-C4'-P energy: -47.846 tors. eta vs tors. theta energy: -90.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -949.326202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.326202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.326202 (E_RNA) where: Base-Base interactions energy: -630.479 where: short stacking energy: -283.640 Base-Backbone interact. energy: 1.517 local terms energy: -320.364697 where: bonds (distance) C4'-P energy: -71.383 bonds (distance) P-C4' energy: -64.701 flat angles C4'-P-C4' energy: -78.450 flat angles P-C4'-P energy: -35.694 tors. eta vs tors. theta energy: -70.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -870.207529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.207529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.207529 (E_RNA) where: Base-Base interactions energy: -584.093 where: short stacking energy: -272.513 Base-Backbone interact. energy: 0.075 local terms energy: -286.189561 where: bonds (distance) C4'-P energy: -55.742 bonds (distance) P-C4' energy: -56.866 flat angles C4'-P-C4' energy: -78.969 flat angles P-C4'-P energy: -39.268 tors. eta vs tors. theta energy: -55.345 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: 2 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -571.909696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.909696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.909696 (E_RNA) where: Base-Base interactions energy: -336.571 where: short stacking energy: -179.301 Base-Backbone interact. energy: -1.577 local terms energy: -233.761055 where: bonds (distance) C4'-P energy: -57.783 bonds (distance) P-C4' energy: -66.238 flat angles C4'-P-C4' energy: -59.274 flat angles P-C4'-P energy: -41.462 tors. eta vs tors. theta energy: -9.004 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: 10, replica: 1 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -471.978252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.978252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.978252 (E_RNA) where: Base-Base interactions energy: -248.760 where: short stacking energy: -134.243 Base-Backbone interact. energy: -1.993 local terms energy: -221.225670 where: bonds (distance) C4'-P energy: -61.530 bonds (distance) P-C4' energy: -59.051 flat angles C4'-P-C4' energy: -55.227 flat angles P-C4'-P energy: -29.188 tors. eta vs tors. theta energy: -16.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1429.401974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.401974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.401974 (E_RNA) where: Base-Base interactions energy: -995.731 where: short stacking energy: -424.669 Base-Backbone interact. energy: -2.001 local terms energy: -431.669822 where: bonds (distance) C4'-P energy: -69.050 bonds (distance) P-C4' energy: -79.822 flat angles C4'-P-C4' energy: -87.855 flat angles P-C4'-P energy: -76.155 tors. eta vs tors. theta energy: -118.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1356.871865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.871865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.871865 (E_RNA) where: Base-Base interactions energy: -942.360 where: short stacking energy: -407.185 Base-Backbone interact. energy: -1.059 local terms energy: -413.452438 where: bonds (distance) C4'-P energy: -81.379 bonds (distance) P-C4' energy: -62.589 flat angles C4'-P-C4' energy: -89.134 flat angles P-C4'-P energy: -64.078 tors. eta vs tors. theta energy: -116.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1265.481901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.481901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.481901 (E_RNA) where: Base-Base interactions energy: -884.192 where: short stacking energy: -344.209 Base-Backbone interact. energy: -3.769 local terms energy: -377.521059 where: bonds (distance) C4'-P energy: -79.965 bonds (distance) P-C4' energy: -77.874 flat angles C4'-P-C4' energy: -78.581 flat angles P-C4'-P energy: -51.344 tors. eta vs tors. theta energy: -89.757 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: 6 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1280.076515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.076515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.076515 (E_RNA) where: Base-Base interactions energy: -891.067 where: short stacking energy: -395.182 Base-Backbone interact. energy: -1.721 local terms energy: -387.288570 where: bonds (distance) C4'-P energy: -47.485 bonds (distance) P-C4' energy: -68.782 flat angles C4'-P-C4' energy: -92.757 flat angles P-C4'-P energy: -61.694 tors. eta vs tors. theta energy: -116.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1207.534731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.534731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.534731 (E_RNA) where: Base-Base interactions energy: -823.278 where: short stacking energy: -368.252 Base-Backbone interact. energy: -1.368 local terms energy: -382.889301 where: bonds (distance) C4'-P energy: -76.398 bonds (distance) P-C4' energy: -63.806 flat angles C4'-P-C4' energy: -79.323 flat angles P-C4'-P energy: -56.708 tors. eta vs tors. theta energy: -106.654 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: 3 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1124.991993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.991993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.991993 (E_RNA) where: Base-Base interactions energy: -777.089 where: short stacking energy: -315.802 Base-Backbone interact. energy: -0.417 local terms energy: -347.485547 where: bonds (distance) C4'-P energy: -67.209 bonds (distance) P-C4' energy: -68.977 flat angles C4'-P-C4' energy: -79.552 flat angles P-C4'-P energy: -46.344 tors. eta vs tors. theta energy: -85.404 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: 7, replica: 4 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -939.838843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.838843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.838843 (E_RNA) where: Base-Base interactions energy: -604.119 where: short stacking energy: -274.661 Base-Backbone interact. energy: -0.420 local terms energy: -335.299276 where: bonds (distance) C4'-P energy: -62.311 bonds (distance) P-C4' energy: -79.856 flat angles C4'-P-C4' energy: -74.955 flat angles P-C4'-P energy: -47.612 tors. eta vs tors. theta energy: -70.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -885.684049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.684049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.684049 (E_RNA) where: Base-Base interactions energy: -575.422 where: short stacking energy: -247.934 Base-Backbone interact. energy: 1.035 local terms energy: -311.296830 where: bonds (distance) C4'-P energy: -70.207 bonds (distance) P-C4' energy: -79.541 flat angles C4'-P-C4' energy: -68.719 flat angles P-C4'-P energy: -41.929 tors. eta vs tors. theta energy: -50.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -584.826854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.826854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.826854 (E_RNA) where: Base-Base interactions energy: -332.550 where: short stacking energy: -178.361 Base-Backbone interact. energy: -3.451 local terms energy: -248.825749 where: bonds (distance) C4'-P energy: -68.081 bonds (distance) P-C4' energy: -65.460 flat angles C4'-P-C4' energy: -66.819 flat angles P-C4'-P energy: -24.691 tors. eta vs tors. theta energy: -23.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -423.373630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.373630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.373630 (E_RNA) where: Base-Base interactions energy: -220.763 where: short stacking energy: -117.636 Base-Backbone interact. energy: -4.539 local terms energy: -198.072113 where: bonds (distance) C4'-P energy: -68.153 bonds (distance) P-C4' energy: -63.016 flat angles C4'-P-C4' energy: -41.409 flat angles P-C4'-P energy: -31.156 tors. eta vs tors. theta energy: 5.662 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: 9 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1399.840301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.840301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.840301 (E_RNA) where: Base-Base interactions energy: -957.552 where: short stacking energy: -411.376 Base-Backbone interact. energy: -0.428 local terms energy: -441.860230 where: bonds (distance) C4'-P energy: -77.346 bonds (distance) P-C4' energy: -77.872 flat angles C4'-P-C4' energy: -91.782 flat angles P-C4'-P energy: -68.070 tors. eta vs tors. theta energy: -126.789 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: 2, replica: 10 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1387.903272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.903272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.903272 (E_RNA) where: Base-Base interactions energy: -955.417 where: short stacking energy: -390.964 Base-Backbone interact. energy: -2.476 local terms energy: -430.010161 where: bonds (distance) C4'-P energy: -76.130 bonds (distance) P-C4' energy: -80.849 flat angles C4'-P-C4' energy: -95.915 flat angles P-C4'-P energy: -56.258 tors. eta vs tors. theta energy: -120.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1307.597359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.597359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.597359 (E_RNA) where: Base-Base interactions energy: -919.500 where: short stacking energy: -406.710 Base-Backbone interact. energy: -0.396 local terms energy: -387.701125 where: bonds (distance) C4'-P energy: -66.701 bonds (distance) P-C4' energy: -79.518 flat angles C4'-P-C4' energy: -85.236 flat angles P-C4'-P energy: -45.451 tors. eta vs tors. theta energy: -110.795 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: 8 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1240.160682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.160682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.160682 (E_RNA) where: Base-Base interactions energy: -873.526 where: short stacking energy: -356.435 Base-Backbone interact. energy: -1.000 local terms energy: -365.634484 where: bonds (distance) C4'-P energy: -56.314 bonds (distance) P-C4' energy: -72.025 flat angles C4'-P-C4' energy: -83.109 flat angles P-C4'-P energy: -61.957 tors. eta vs tors. theta energy: -92.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1223.797556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.797556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.797556 (E_RNA) where: Base-Base interactions energy: -844.297 where: short stacking energy: -374.929 Base-Backbone interact. energy: -1.148 local terms energy: -378.352626 where: bonds (distance) C4'-P energy: -62.671 bonds (distance) P-C4' energy: -74.282 flat angles C4'-P-C4' energy: -79.065 flat angles P-C4'-P energy: -53.840 tors. eta vs tors. theta energy: -108.494 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: 336 Temperature: 1.150000 Total energy: -1105.357471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.357471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.357471 (E_RNA) where: Base-Base interactions energy: -752.274 where: short stacking energy: -326.444 Base-Backbone interact. energy: -1.047 local terms energy: -352.036150 where: bonds (distance) C4'-P energy: -69.714 bonds (distance) P-C4' energy: -70.662 flat angles C4'-P-C4' energy: -78.431 flat angles P-C4'-P energy: -45.356 tors. eta vs tors. theta energy: -87.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -906.196199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.196199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.196199 (E_RNA) where: Base-Base interactions energy: -585.842 where: short stacking energy: -257.413 Base-Backbone interact. energy: -1.242 local terms energy: -319.112029 where: bonds (distance) C4'-P energy: -78.019 bonds (distance) P-C4' energy: -64.342 flat angles C4'-P-C4' energy: -69.396 flat angles P-C4'-P energy: -50.793 tors. eta vs tors. theta energy: -56.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -902.807643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.807643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.807643 (E_RNA) where: Base-Base interactions energy: -569.627 where: short stacking energy: -264.160 Base-Backbone interact. energy: -1.210 local terms energy: -331.970300 where: bonds (distance) C4'-P energy: -68.768 bonds (distance) P-C4' energy: -76.337 flat angles C4'-P-C4' energy: -68.524 flat angles P-C4'-P energy: -41.847 tors. eta vs tors. theta energy: -76.494 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: 9, replica: 1 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -520.430449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.430449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.430449 (E_RNA) where: Base-Base interactions energy: -281.819 where: short stacking energy: -150.462 Base-Backbone interact. energy: 2.802 local terms energy: -241.413270 where: bonds (distance) C4'-P energy: -57.178 bonds (distance) P-C4' energy: -76.452 flat angles C4'-P-C4' energy: -66.331 flat angles P-C4'-P energy: -28.561 tors. eta vs tors. theta energy: -12.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -536.228933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.228933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.228933 (E_RNA) where: Base-Base interactions energy: -303.189 where: short stacking energy: -149.342 Base-Backbone interact. energy: -0.027 local terms energy: -233.013249 where: bonds (distance) C4'-P energy: -62.804 bonds (distance) P-C4' energy: -55.974 flat angles C4'-P-C4' energy: -53.920 flat angles P-C4'-P energy: -46.350 tors. eta vs tors. theta energy: -13.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1432.201274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.201274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.201274 (E_RNA) where: Base-Base interactions energy: -1000.807 where: short stacking energy: -423.644 Base-Backbone interact. energy: -3.372 local terms energy: -428.022388 where: bonds (distance) C4'-P energy: -73.339 bonds (distance) P-C4' energy: -79.633 flat angles C4'-P-C4' energy: -85.075 flat angles P-C4'-P energy: -62.583 tors. eta vs tors. theta energy: -127.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1375.172026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.172026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.172026 (E_RNA) where: Base-Base interactions energy: -944.258 where: short stacking energy: -409.344 Base-Backbone interact. energy: 3.110 local terms energy: -434.023890 where: bonds (distance) C4'-P energy: -87.372 bonds (distance) P-C4' energy: -83.081 flat angles C4'-P-C4' energy: -91.267 flat angles P-C4'-P energy: -56.716 tors. eta vs tors. theta energy: -115.589 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: 3, replica: 6 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1326.284323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.284323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.284323 (E_RNA) where: Base-Base interactions energy: -908.805 where: short stacking energy: -390.965 Base-Backbone interact. energy: -1.422 local terms energy: -416.056926 where: bonds (distance) C4'-P energy: -73.854 bonds (distance) P-C4' energy: -74.868 flat angles C4'-P-C4' energy: -82.406 flat angles P-C4'-P energy: -60.419 tors. eta vs tors. theta energy: -124.509 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: 8 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1243.270370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.270370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.270370 (E_RNA) where: Base-Base interactions energy: -874.064 where: short stacking energy: -349.574 Base-Backbone interact. energy: -2.390 local terms energy: -366.816981 where: bonds (distance) C4'-P energy: -74.661 bonds (distance) P-C4' energy: -71.808 flat angles C4'-P-C4' energy: -80.040 flat angles P-C4'-P energy: -55.352 tors. eta vs tors. theta energy: -84.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1206.987971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.987971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.987971 (E_RNA) where: Base-Base interactions energy: -832.612 where: short stacking energy: -342.755 Base-Backbone interact. energy: -0.859 local terms energy: -373.517020 where: bonds (distance) C4'-P energy: -71.740 bonds (distance) P-C4' energy: -67.942 flat angles C4'-P-C4' energy: -79.966 flat angles P-C4'-P energy: -54.629 tors. eta vs tors. theta energy: -99.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1136.430417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.430417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.430417 (E_RNA) where: Base-Base interactions energy: -774.837 where: short stacking energy: -324.008 Base-Backbone interact. energy: -2.267 local terms energy: -359.326675 where: bonds (distance) C4'-P energy: -63.203 bonds (distance) P-C4' energy: -67.199 flat angles C4'-P-C4' energy: -85.179 flat angles P-C4'-P energy: -48.314 tors. eta vs tors. theta energy: -95.431 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: 7, replica: 7 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -887.563550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.563550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.563550 (E_RNA) where: Base-Base interactions energy: -608.947 where: short stacking energy: -284.431 Base-Backbone interact. energy: -1.248 local terms energy: -277.368104 where: bonds (distance) C4'-P energy: -47.799 bonds (distance) P-C4' energy: -75.671 flat angles C4'-P-C4' energy: -69.722 flat angles P-C4'-P energy: -22.908 tors. eta vs tors. theta energy: -61.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -886.184607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.184607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.184607 (E_RNA) where: Base-Base interactions energy: -587.759 where: short stacking energy: -272.068 Base-Backbone interact. energy: 0.407 local terms energy: -298.832527 where: bonds (distance) C4'-P energy: -49.728 bonds (distance) P-C4' energy: -67.426 flat angles C4'-P-C4' energy: -75.190 flat angles P-C4'-P energy: -45.360 tors. eta vs tors. theta energy: -61.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -515.103009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.103009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.103009 (E_RNA) where: Base-Base interactions energy: -260.158 where: short stacking energy: -155.383 Base-Backbone interact. energy: -1.704 local terms energy: -253.241052 where: bonds (distance) C4'-P energy: -60.914 bonds (distance) P-C4' energy: -62.016 flat angles C4'-P-C4' energy: -67.856 flat angles P-C4'-P energy: -47.053 tors. eta vs tors. theta energy: -15.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -554.290439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.290439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.290439 (E_RNA) where: Base-Base interactions energy: -315.518 where: short stacking energy: -166.502 Base-Backbone interact. energy: 1.535 local terms energy: -240.308017 where: bonds (distance) C4'-P energy: -57.609 bonds (distance) P-C4' energy: -69.614 flat angles C4'-P-C4' energy: -64.681 flat angles P-C4'-P energy: -34.950 tors. eta vs tors. theta energy: -13.454 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: 9 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1418.784595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.784595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.784595 (E_RNA) where: Base-Base interactions energy: -986.578 where: short stacking energy: -431.221 Base-Backbone interact. energy: -0.857 local terms energy: -431.348969 where: bonds (distance) C4'-P energy: -75.462 bonds (distance) P-C4' energy: -88.940 flat angles C4'-P-C4' energy: -87.035 flat angles P-C4'-P energy: -53.510 tors. eta vs tors. theta energy: -126.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1364.361015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.361015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.361015 (E_RNA) where: Base-Base interactions energy: -949.947 where: short stacking energy: -414.337 Base-Backbone interact. energy: 3.911 local terms energy: -418.325015 where: bonds (distance) C4'-P energy: -69.210 bonds (distance) P-C4' energy: -87.016 flat angles C4'-P-C4' energy: -90.607 flat angles P-C4'-P energy: -58.177 tors. eta vs tors. theta energy: -113.316 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: 3, replica: 6 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1290.102852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.102852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.102852 (E_RNA) where: Base-Base interactions energy: -874.571 where: short stacking energy: -380.500 Base-Backbone interact. energy: -1.505 local terms energy: -414.026293 where: bonds (distance) C4'-P energy: -77.902 bonds (distance) P-C4' energy: -84.613 flat angles C4'-P-C4' energy: -85.678 flat angles P-C4'-P energy: -60.103 tors. eta vs tors. theta energy: -105.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1240.936939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.936939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.936939 (E_RNA) where: Base-Base interactions energy: -859.240 where: short stacking energy: -370.581 Base-Backbone interact. energy: -1.548 local terms energy: -380.149608 where: bonds (distance) C4'-P energy: -67.316 bonds (distance) P-C4' energy: -78.868 flat angles C4'-P-C4' energy: -80.628 flat angles P-C4'-P energy: -52.935 tors. eta vs tors. theta energy: -100.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1140.697426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.697426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.697426 (E_RNA) where: Base-Base interactions energy: -801.411 where: short stacking energy: -339.734 Base-Backbone interact. energy: -2.277 local terms energy: -337.010349 where: bonds (distance) C4'-P energy: -55.546 bonds (distance) P-C4' energy: -74.134 flat angles C4'-P-C4' energy: -76.794 flat angles P-C4'-P energy: -53.672 tors. eta vs tors. theta energy: -76.863 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: 5 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1133.196811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.196811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.196811 (E_RNA) where: Base-Base interactions energy: -760.164 where: short stacking energy: -333.048 Base-Backbone interact. energy: -2.710 local terms energy: -370.322946 where: bonds (distance) C4'-P energy: -69.393 bonds (distance) P-C4' energy: -64.357 flat angles C4'-P-C4' energy: -81.997 flat angles P-C4'-P energy: -56.194 tors. eta vs tors. theta energy: -98.382 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: 7, replica: 7 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -928.681736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.681736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.681736 (E_RNA) where: Base-Base interactions energy: -600.866 where: short stacking energy: -267.378 Base-Backbone interact. energy: -0.551 local terms energy: -327.264306 where: bonds (distance) C4'-P energy: -67.771 bonds (distance) P-C4' energy: -70.811 flat angles C4'-P-C4' energy: -80.530 flat angles P-C4'-P energy: -42.192 tors. eta vs tors. theta energy: -65.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -902.819469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.819469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.819469 (E_RNA) where: Base-Base interactions energy: -595.507 where: short stacking energy: -283.639 Base-Backbone interact. energy: -0.434 local terms energy: -306.877669 where: bonds (distance) C4'-P energy: -50.798 bonds (distance) P-C4' energy: -70.426 flat angles C4'-P-C4' energy: -66.835 flat angles P-C4'-P energy: -48.657 tors. eta vs tors. theta energy: -70.163 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: 2 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -586.597296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.597296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.597296 (E_RNA) where: Base-Base interactions energy: -350.507 where: short stacking energy: -174.759 Base-Backbone interact. energy: 2.247 local terms energy: -238.337263 where: bonds (distance) C4'-P energy: -67.108 bonds (distance) P-C4' energy: -62.783 flat angles C4'-P-C4' energy: -63.445 flat angles P-C4'-P energy: -31.213 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: 10, replica: 1 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -474.390767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.390767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.390767 (E_RNA) where: Base-Base interactions energy: -224.418 where: short stacking energy: -136.496 Base-Backbone interact. energy: -1.735 local terms energy: -248.238625 where: bonds (distance) C4'-P energy: -61.687 bonds (distance) P-C4' energy: -69.896 flat angles C4'-P-C4' energy: -59.359 flat angles P-C4'-P energy: -46.078 tors. eta vs tors. theta energy: -11.218 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: 9 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1415.117272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.117272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.117272 (E_RNA) where: Base-Base interactions energy: -973.962 where: short stacking energy: -414.899 Base-Backbone interact. energy: -0.966 local terms energy: -440.189134 where: bonds (distance) C4'-P energy: -81.177 bonds (distance) P-C4' energy: -84.176 flat angles C4'-P-C4' energy: -90.759 flat angles P-C4'-P energy: -56.779 tors. eta vs tors. theta energy: -127.298 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: 10 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1387.115083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.115083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.115083 (E_RNA) where: Base-Base interactions energy: -966.728 where: short stacking energy: -431.786 Base-Backbone interact. energy: -0.814 local terms energy: -419.572997 where: bonds (distance) C4'-P energy: -78.224 bonds (distance) P-C4' energy: -71.932 flat angles C4'-P-C4' energy: -86.012 flat angles P-C4'-P energy: -57.306 tors. eta vs tors. theta energy: -126.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1320.873415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.873415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.873415 (E_RNA) where: Base-Base interactions energy: -896.773 where: short stacking energy: -388.691 Base-Backbone interact. energy: -0.934 local terms energy: -423.166325 where: bonds (distance) C4'-P energy: -83.118 bonds (distance) P-C4' energy: -74.933 flat angles C4'-P-C4' energy: -86.669 flat angles P-C4'-P energy: -63.299 tors. eta vs tors. theta energy: -115.147 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: 8 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1245.701595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.701595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.701595 (E_RNA) where: Base-Base interactions energy: -875.427 where: short stacking energy: -348.086 Base-Backbone interact. energy: 2.094 local terms energy: -372.369276 where: bonds (distance) C4'-P energy: -56.969 bonds (distance) P-C4' energy: -75.760 flat angles C4'-P-C4' energy: -79.899 flat angles P-C4'-P energy: -54.137 tors. eta vs tors. theta energy: -105.604 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: 339 Temperature: 1.100000 Total energy: -1162.622259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.622259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.622259 (E_RNA) where: Base-Base interactions energy: -790.225 where: short stacking energy: -348.376 Base-Backbone interact. energy: -0.883 local terms energy: -371.514013 where: bonds (distance) C4'-P energy: -63.927 bonds (distance) P-C4' energy: -69.335 flat angles C4'-P-C4' energy: -84.685 flat angles P-C4'-P energy: -60.179 tors. eta vs tors. theta energy: -93.388 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: 5 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1150.747297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.747297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.747297 (E_RNA) where: Base-Base interactions energy: -777.630 where: short stacking energy: -341.997 Base-Backbone interact. energy: -4.680 local terms energy: -368.437866 where: bonds (distance) C4'-P energy: -62.922 bonds (distance) P-C4' energy: -75.778 flat angles C4'-P-C4' energy: -75.943 flat angles P-C4'-P energy: -57.620 tors. eta vs tors. theta energy: -96.175 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: 7 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -920.756223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.756223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.756223 (E_RNA) where: Base-Base interactions energy: -618.207 where: short stacking energy: -274.642 Base-Backbone interact. energy: -0.360 local terms energy: -302.189286 where: bonds (distance) C4'-P energy: -57.983 bonds (distance) P-C4' energy: -72.977 flat angles C4'-P-C4' energy: -65.603 flat angles P-C4'-P energy: -39.374 tors. eta vs tors. theta energy: -66.252 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: 4 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -877.372418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.372418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.372418 (E_RNA) where: Base-Base interactions energy: -586.476 where: short stacking energy: -260.845 Base-Backbone interact. energy: -0.589 local terms energy: -290.307839 where: bonds (distance) C4'-P energy: -62.039 bonds (distance) P-C4' energy: -55.748 flat angles C4'-P-C4' energy: -63.986 flat angles P-C4'-P energy: -52.711 tors. eta vs tors. theta energy: -55.824 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: 2 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -587.651283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.651283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.651283 (E_RNA) where: Base-Base interactions energy: -346.407 where: short stacking energy: -167.876 Base-Backbone interact. energy: -2.204 local terms energy: -239.040402 where: bonds (distance) C4'-P energy: -63.232 bonds (distance) P-C4' energy: -54.072 flat angles C4'-P-C4' energy: -62.619 flat angles P-C4'-P energy: -34.245 tors. eta vs tors. theta energy: -24.872 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: 1 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -488.154753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.154753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.154753 (E_RNA) where: Base-Base interactions energy: -275.036 where: short stacking energy: -158.380 Base-Backbone interact. energy: -1.696 local terms energy: -211.422384 where: bonds (distance) C4'-P energy: -46.760 bonds (distance) P-C4' energy: -65.327 flat angles C4'-P-C4' energy: -42.460 flat angles P-C4'-P energy: -48.540 tors. eta vs tors. theta energy: -8.336 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: 1, replica: 9 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1409.986885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.986885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.986885 (E_RNA) where: Base-Base interactions energy: -971.069 where: short stacking energy: -426.266 Base-Backbone interact. energy: -1.217 local terms energy: -437.701442 where: bonds (distance) C4'-P energy: -78.454 bonds (distance) P-C4' energy: -82.384 flat angles C4'-P-C4' energy: -84.926 flat angles P-C4'-P energy: -63.259 tors. eta vs tors. theta energy: -128.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1376.327252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.327252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.327252 (E_RNA) where: Base-Base interactions energy: -945.578 where: short stacking energy: -412.785 Base-Backbone interact. energy: -0.242 local terms energy: -430.507926 where: bonds (distance) C4'-P energy: -76.969 bonds (distance) P-C4' energy: -78.652 flat angles C4'-P-C4' energy: -95.795 flat angles P-C4'-P energy: -60.996 tors. eta vs tors. theta energy: -118.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1295.998187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.998187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.998187 (E_RNA) where: Base-Base interactions energy: -880.671 where: short stacking energy: -382.765 Base-Backbone interact. energy: -1.207 local terms energy: -414.119972 where: bonds (distance) C4'-P energy: -74.520 bonds (distance) P-C4' energy: -77.502 flat angles C4'-P-C4' energy: -85.924 flat angles P-C4'-P energy: -59.218 tors. eta vs tors. theta energy: -116.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1233.518472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.518472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.518472 (E_RNA) where: Base-Base interactions energy: -847.930 where: short stacking energy: -352.561 Base-Backbone interact. energy: -0.940 local terms energy: -384.648895 where: bonds (distance) C4'-P energy: -72.761 bonds (distance) P-C4' energy: -67.448 flat angles C4'-P-C4' energy: -93.208 flat angles P-C4'-P energy: -54.526 tors. eta vs tors. theta energy: -96.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1192.048987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.048987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.048987 (E_RNA) where: Base-Base interactions energy: -830.656 where: short stacking energy: -341.133 Base-Backbone interact. energy: -2.051 local terms energy: -359.342041 where: bonds (distance) C4'-P energy: -54.846 bonds (distance) P-C4' energy: -75.913 flat angles C4'-P-C4' energy: -81.517 flat angles P-C4'-P energy: -54.819 tors. eta vs tors. theta energy: -92.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1165.814481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.814481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.814481 (E_RNA) where: Base-Base interactions energy: -803.497 where: short stacking energy: -348.973 Base-Backbone interact. energy: -1.846 local terms energy: -360.471388 where: bonds (distance) C4'-P energy: -70.454 bonds (distance) P-C4' energy: -74.905 flat angles C4'-P-C4' energy: -63.897 flat angles P-C4'-P energy: -47.408 tors. eta vs tors. theta energy: -103.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -902.136904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.136904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.136904 (E_RNA) where: Base-Base interactions energy: -592.549 where: short stacking energy: -249.474 Base-Backbone interact. energy: -0.533 local terms energy: -309.054598 where: bonds (distance) C4'-P energy: -57.583 bonds (distance) P-C4' energy: -66.294 flat angles C4'-P-C4' energy: -77.534 flat angles P-C4'-P energy: -52.725 tors. eta vs tors. theta energy: -54.917 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: 4 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -845.891733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.891733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.891733 (E_RNA) where: Base-Base interactions energy: -536.095 where: short stacking energy: -251.018 Base-Backbone interact. energy: -2.031 local terms energy: -307.765523 where: bonds (distance) C4'-P energy: -54.703 bonds (distance) P-C4' energy: -69.636 flat angles C4'-P-C4' energy: -75.536 flat angles P-C4'-P energy: -48.502 tors. eta vs tors. theta energy: -59.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -590.734099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.734099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.734099 (E_RNA) where: Base-Base interactions energy: -340.443 where: short stacking energy: -178.229 Base-Backbone interact. energy: 0.927 local terms energy: -251.217907 where: bonds (distance) C4'-P energy: -66.267 bonds (distance) P-C4' energy: -67.553 flat angles C4'-P-C4' energy: -62.881 flat angles P-C4'-P energy: -32.165 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: 10, replica: 1 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -501.922517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.922517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.922517 (E_RNA) where: Base-Base interactions energy: -284.046 where: short stacking energy: -128.705 Base-Backbone interact. energy: 4.892 local terms energy: -222.768660 where: bonds (distance) C4'-P energy: -62.529 bonds (distance) P-C4' energy: -75.946 flat angles C4'-P-C4' energy: -62.298 flat angles P-C4'-P energy: -35.209 tors. eta vs tors. theta energy: 13.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1435.983502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.983502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.983502 (E_RNA) where: Base-Base interactions energy: -986.473 where: short stacking energy: -448.043 Base-Backbone interact. energy: -1.222 local terms energy: -448.288694 where: bonds (distance) C4'-P energy: -81.591 bonds (distance) P-C4' energy: -84.587 flat angles C4'-P-C4' energy: -86.772 flat angles P-C4'-P energy: -63.830 tors. eta vs tors. theta energy: -131.508 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: 10 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1351.674718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.674718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.674718 (E_RNA) where: Base-Base interactions energy: -934.129 where: short stacking energy: -403.108 Base-Backbone interact. energy: -0.994 local terms energy: -416.551341 where: bonds (distance) C4'-P energy: -68.413 bonds (distance) P-C4' energy: -89.070 flat angles C4'-P-C4' energy: -88.499 flat angles P-C4'-P energy: -59.552 tors. eta vs tors. theta energy: -111.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1289.846800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.846800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.846800 (E_RNA) where: Base-Base interactions energy: -877.675 where: short stacking energy: -373.290 Base-Backbone interact. energy: 3.230 local terms energy: -415.401159 where: bonds (distance) C4'-P energy: -72.185 bonds (distance) P-C4' energy: -84.586 flat angles C4'-P-C4' energy: -89.022 flat angles P-C4'-P energy: -52.427 tors. eta vs tors. theta energy: -117.181 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: 8 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1263.772465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.772465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.772465 (E_RNA) where: Base-Base interactions energy: -882.979 where: short stacking energy: -369.761 Base-Backbone interact. energy: 0.467 local terms energy: -381.259929 where: bonds (distance) C4'-P energy: -70.850 bonds (distance) P-C4' energy: -75.720 flat angles C4'-P-C4' energy: -80.156 flat angles P-C4'-P energy: -51.853 tors. eta vs tors. theta energy: -102.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1154.141328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.141328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.141328 (E_RNA) where: Base-Base interactions energy: -785.118 where: short stacking energy: -329.339 Base-Backbone interact. energy: -2.319 local terms energy: -366.704689 where: bonds (distance) C4'-P energy: -69.985 bonds (distance) P-C4' energy: -77.958 flat angles C4'-P-C4' energy: -77.122 flat angles P-C4'-P energy: -60.354 tors. eta vs tors. theta energy: -81.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1140.355013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.355013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.355013 (E_RNA) where: Base-Base interactions energy: -801.945 where: short stacking energy: -337.585 Base-Backbone interact. energy: -1.848 local terms energy: -336.562590 where: bonds (distance) C4'-P energy: -53.976 bonds (distance) P-C4' energy: -67.810 flat angles C4'-P-C4' energy: -75.006 flat angles P-C4'-P energy: -42.412 tors. eta vs tors. theta energy: -97.359 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: 7 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -912.096315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.096315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.096315 (E_RNA) where: Base-Base interactions energy: -591.475 where: short stacking energy: -280.886 Base-Backbone interact. energy: -1.540 local terms energy: -319.081767 where: bonds (distance) C4'-P energy: -62.329 bonds (distance) P-C4' energy: -71.247 flat angles C4'-P-C4' energy: -73.109 flat angles P-C4'-P energy: -49.563 tors. eta vs tors. theta energy: -62.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -846.362689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.362689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.362689 (E_RNA) where: Base-Base interactions energy: -550.686 where: short stacking energy: -252.600 Base-Backbone interact. energy: -0.958 local terms energy: -294.718439 where: bonds (distance) C4'-P energy: -59.615 bonds (distance) P-C4' energy: -73.061 flat angles C4'-P-C4' energy: -68.615 flat angles P-C4'-P energy: -41.385 tors. eta vs tors. theta energy: -52.043 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: 2 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -570.818886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.818886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.818886 (E_RNA) where: Base-Base interactions energy: -324.362 where: short stacking energy: -177.641 Base-Backbone interact. energy: -1.680 local terms energy: -244.777397 where: bonds (distance) C4'-P energy: -59.485 bonds (distance) P-C4' energy: -71.933 flat angles C4'-P-C4' energy: -58.771 flat angles P-C4'-P energy: -25.560 tors. eta vs tors. theta energy: -29.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -482.527858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.527858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.527858 (E_RNA) where: Base-Base interactions energy: -256.867 where: short stacking energy: -146.552 Base-Backbone interact. energy: 5.041 local terms energy: -230.701822 where: bonds (distance) C4'-P energy: -55.824 bonds (distance) P-C4' energy: -69.960 flat angles C4'-P-C4' energy: -66.431 flat angles P-C4'-P energy: -26.254 tors. eta vs tors. theta energy: -12.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1430.513915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.513915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.513915 (E_RNA) where: Base-Base interactions energy: -992.279 where: short stacking energy: -431.108 Base-Backbone interact. energy: -2.664 local terms energy: -435.571390 where: bonds (distance) C4'-P energy: -73.251 bonds (distance) P-C4' energy: -77.164 flat angles C4'-P-C4' energy: -91.420 flat angles P-C4'-P energy: -63.856 tors. eta vs tors. theta energy: -129.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1374.591909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.591909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.591909 (E_RNA) where: Base-Base interactions energy: -945.059 where: short stacking energy: -413.100 Base-Backbone interact. energy: -0.572 local terms energy: -428.960370 where: bonds (distance) C4'-P energy: -84.268 bonds (distance) P-C4' energy: -71.666 flat angles C4'-P-C4' energy: -95.792 flat angles P-C4'-P energy: -58.861 tors. eta vs tors. theta energy: -118.374 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: 6 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1306.220303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.220303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.220303 (E_RNA) where: Base-Base interactions energy: -899.044 where: short stacking energy: -383.541 Base-Backbone interact. energy: 1.956 local terms energy: -409.132941 where: bonds (distance) C4'-P energy: -79.413 bonds (distance) P-C4' energy: -70.177 flat angles C4'-P-C4' energy: -77.706 flat angles P-C4'-P energy: -71.135 tors. eta vs tors. theta energy: -110.703 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: 8 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1243.770068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.770068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.770068 (E_RNA) where: Base-Base interactions energy: -861.025 where: short stacking energy: -354.450 Base-Backbone interact. energy: -2.262 local terms energy: -380.483116 where: bonds (distance) C4'-P energy: -71.776 bonds (distance) P-C4' energy: -73.850 flat angles C4'-P-C4' energy: -87.500 flat angles P-C4'-P energy: -56.251 tors. eta vs tors. theta energy: -91.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1189.315660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.315660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.315660 (E_RNA) where: Base-Base interactions energy: -830.942 where: short stacking energy: -359.906 Base-Backbone interact. energy: -0.673 local terms energy: -357.699969 where: bonds (distance) C4'-P energy: -67.024 bonds (distance) P-C4' energy: -60.857 flat angles C4'-P-C4' energy: -73.064 flat angles P-C4'-P energy: -59.914 tors. eta vs tors. theta energy: -96.840 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: 3 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1106.939321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.939321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.939321 (E_RNA) where: Base-Base interactions energy: -751.472 where: short stacking energy: -345.323 Base-Backbone interact. energy: -3.131 local terms energy: -352.336085 where: bonds (distance) C4'-P energy: -63.022 bonds (distance) P-C4' energy: -68.603 flat angles C4'-P-C4' energy: -75.157 flat angles P-C4'-P energy: -57.878 tors. eta vs tors. theta energy: -87.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -906.044587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.044587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.044587 (E_RNA) where: Base-Base interactions energy: -590.511 where: short stacking energy: -279.385 Base-Backbone interact. energy: -0.914 local terms energy: -314.619425 where: bonds (distance) C4'-P energy: -69.075 bonds (distance) P-C4' energy: -57.376 flat angles C4'-P-C4' energy: -69.664 flat angles P-C4'-P energy: -50.915 tors. eta vs tors. theta energy: -67.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -843.795245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.795245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.795245 (E_RNA) where: Base-Base interactions energy: -524.591 where: short stacking energy: -246.273 Base-Backbone interact. energy: 2.047 local terms energy: -321.251337 where: bonds (distance) C4'-P energy: -56.598 bonds (distance) P-C4' energy: -75.214 flat angles C4'-P-C4' energy: -69.822 flat angles P-C4'-P energy: -55.461 tors. eta vs tors. theta energy: -64.157 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: 2 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -573.953626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.953626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.953626 (E_RNA) where: Base-Base interactions energy: -311.513 where: short stacking energy: -159.700 Base-Backbone interact. energy: 0.574 local terms energy: -263.014193 where: bonds (distance) C4'-P energy: -59.737 bonds (distance) P-C4' energy: -81.192 flat angles C4'-P-C4' energy: -75.766 flat angles P-C4'-P energy: -32.773 tors. eta vs tors. theta energy: -13.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -492.821693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.821693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.821693 (E_RNA) where: Base-Base interactions energy: -276.110 where: short stacking energy: -146.301 Base-Backbone interact. energy: 1.847 local terms energy: -218.557961 where: bonds (distance) C4'-P energy: -59.915 bonds (distance) P-C4' energy: -58.256 flat angles C4'-P-C4' energy: -57.636 flat angles P-C4'-P energy: -34.384 tors. eta vs tors. theta energy: -8.366 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: 9 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1420.239681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.239681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.239681 (E_RNA) where: Base-Base interactions energy: -995.123 where: short stacking energy: -425.635 Base-Backbone interact. energy: -1.801 local terms energy: -423.316118 where: bonds (distance) C4'-P energy: -75.514 bonds (distance) P-C4' energy: -72.909 flat angles C4'-P-C4' energy: -88.622 flat angles P-C4'-P energy: -62.920 tors. eta vs tors. theta energy: -123.350 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: 343 Temperature: 0.950000 Total energy: -1366.712476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.712476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.712476 (E_RNA) where: Base-Base interactions energy: -934.602 where: short stacking energy: -398.816 Base-Backbone interact. energy: -1.645 local terms energy: -430.465474 where: bonds (distance) C4'-P energy: -77.588 bonds (distance) P-C4' energy: -81.148 flat angles C4'-P-C4' energy: -86.933 flat angles P-C4'-P energy: -67.099 tors. eta vs tors. theta energy: -117.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1296.842699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.842699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.842699 (E_RNA) where: Base-Base interactions energy: -900.005 where: short stacking energy: -404.802 Base-Backbone interact. energy: -4.639 local terms energy: -392.197778 where: bonds (distance) C4'-P energy: -68.534 bonds (distance) P-C4' energy: -57.597 flat angles C4'-P-C4' energy: -84.750 flat angles P-C4'-P energy: -64.442 tors. eta vs tors. theta energy: -116.874 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: 4, replica: 8 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1242.754640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.754640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.754640 (E_RNA) where: Base-Base interactions energy: -869.501 where: short stacking energy: -364.067 Base-Backbone interact. energy: -2.463 local terms energy: -370.790803 where: bonds (distance) C4'-P energy: -72.304 bonds (distance) P-C4' energy: -64.943 flat angles C4'-P-C4' energy: -70.889 flat angles P-C4'-P energy: -61.532 tors. eta vs tors. theta energy: -101.122 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: 5 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1193.628835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.628835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.628835 (E_RNA) where: Base-Base interactions energy: -830.622 where: short stacking energy: -348.092 Base-Backbone interact. energy: -1.904 local terms energy: -361.102115 where: bonds (distance) C4'-P energy: -59.524 bonds (distance) P-C4' energy: -67.103 flat angles C4'-P-C4' energy: -78.699 flat angles P-C4'-P energy: -51.735 tors. eta vs tors. theta energy: -104.041 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: 343 Temperature: 1.150000 Total energy: -1057.879756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.879756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.879756 (E_RNA) where: Base-Base interactions energy: -730.989 where: short stacking energy: -306.529 Base-Backbone interact. energy: -0.112 local terms energy: -326.778772 where: bonds (distance) C4'-P energy: -71.735 bonds (distance) P-C4' energy: -63.608 flat angles C4'-P-C4' energy: -75.668 flat angles P-C4'-P energy: -35.302 tors. eta vs tors. theta energy: -80.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -922.137471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.137471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.137471 (E_RNA) where: Base-Base interactions energy: -607.721 where: short stacking energy: -266.710 Base-Backbone interact. energy: 1.081 local terms energy: -315.497549 where: bonds (distance) C4'-P energy: -68.996 bonds (distance) P-C4' energy: -63.624 flat angles C4'-P-C4' energy: -61.891 flat angles P-C4'-P energy: -56.498 tors. eta vs tors. theta energy: -64.489 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: 8, replica: 4 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -887.585722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.585722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.585722 (E_RNA) where: Base-Base interactions energy: -592.920 where: short stacking energy: -272.422 Base-Backbone interact. energy: 0.509 local terms energy: -295.174841 where: bonds (distance) C4'-P energy: -55.218 bonds (distance) P-C4' energy: -68.990 flat angles C4'-P-C4' energy: -73.274 flat angles P-C4'-P energy: -43.728 tors. eta vs tors. theta energy: -53.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -586.713504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.713504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.713504 (E_RNA) where: Base-Base interactions energy: -335.304 where: short stacking energy: -168.009 Base-Backbone interact. energy: -0.584 local terms energy: -250.825442 where: bonds (distance) C4'-P energy: -68.160 bonds (distance) P-C4' energy: -71.814 flat angles C4'-P-C4' energy: -57.836 flat angles P-C4'-P energy: -39.207 tors. eta vs tors. theta energy: -13.809 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: 1 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -457.256198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.256198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.256198 (E_RNA) where: Base-Base interactions energy: -226.263 where: short stacking energy: -128.701 Base-Backbone interact. energy: 2.657 local terms energy: -233.650193 where: bonds (distance) C4'-P energy: -65.895 bonds (distance) P-C4' energy: -64.226 flat angles C4'-P-C4' energy: -55.189 flat angles P-C4'-P energy: -41.502 tors. eta vs tors. theta energy: -6.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1436.196829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.196829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.196829 (E_RNA) where: Base-Base interactions energy: -997.999 where: short stacking energy: -427.098 Base-Backbone interact. energy: -1.842 local terms energy: -436.356143 where: bonds (distance) C4'-P energy: -72.013 bonds (distance) P-C4' energy: -78.555 flat angles C4'-P-C4' energy: -92.940 flat angles P-C4'-P energy: -62.666 tors. eta vs tors. theta energy: -130.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1366.477332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.477332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.477332 (E_RNA) where: Base-Base interactions energy: -946.355 where: short stacking energy: -400.077 Base-Backbone interact. energy: -0.451 local terms energy: -419.671259 where: bonds (distance) C4'-P energy: -77.864 bonds (distance) P-C4' energy: -82.025 flat angles C4'-P-C4' energy: -91.008 flat angles P-C4'-P energy: -54.845 tors. eta vs tors. theta energy: -113.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1298.583049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.583049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.583049 (E_RNA) where: Base-Base interactions energy: -878.202 where: short stacking energy: -385.370 Base-Backbone interact. energy: -0.220 local terms energy: -420.161555 where: bonds (distance) C4'-P energy: -81.711 bonds (distance) P-C4' energy: -78.390 flat angles C4'-P-C4' energy: -91.429 flat angles P-C4'-P energy: -54.733 tors. eta vs tors. theta energy: -113.898 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: 8 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1269.362179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.362179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.362179 (E_RNA) where: Base-Base interactions energy: -906.617 where: short stacking energy: -337.875 Base-Backbone interact. energy: -1.783 local terms energy: -360.962492 where: bonds (distance) C4'-P energy: -69.881 bonds (distance) P-C4' energy: -68.997 flat angles C4'-P-C4' energy: -84.257 flat angles P-C4'-P energy: -44.642 tors. eta vs tors. theta energy: -93.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1213.125708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.125708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.125708 (E_RNA) where: Base-Base interactions energy: -831.429 where: short stacking energy: -354.971 Base-Backbone interact. energy: -1.713 local terms energy: -379.984400 where: bonds (distance) C4'-P energy: -70.425 bonds (distance) P-C4' energy: -70.487 flat angles C4'-P-C4' energy: -83.647 flat angles P-C4'-P energy: -49.172 tors. eta vs tors. theta energy: -106.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1012.329378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.329378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.329378 (E_RNA) where: Base-Base interactions energy: -690.277 where: short stacking energy: -313.327 Base-Backbone interact. energy: -0.592 local terms energy: -321.460628 where: bonds (distance) C4'-P energy: -64.973 bonds (distance) P-C4' energy: -68.202 flat angles C4'-P-C4' energy: -74.431 flat angles P-C4'-P energy: -42.960 tors. eta vs tors. theta energy: -70.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -879.183729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.183729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.183729 (E_RNA) where: Base-Base interactions energy: -560.382 where: short stacking energy: -255.477 Base-Backbone interact. energy: -0.327 local terms energy: -318.474355 where: bonds (distance) C4'-P energy: -73.332 bonds (distance) P-C4' energy: -68.816 flat angles C4'-P-C4' energy: -62.789 flat angles P-C4'-P energy: -54.154 tors. eta vs tors. theta energy: -59.383 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: 4 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -858.329182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.329182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.329182 (E_RNA) where: Base-Base interactions energy: -554.725 where: short stacking energy: -255.275 Base-Backbone interact. energy: -3.646 local terms energy: -299.958000 where: bonds (distance) C4'-P energy: -62.226 bonds (distance) P-C4' energy: -79.250 flat angles C4'-P-C4' energy: -63.416 flat angles P-C4'-P energy: -43.236 tors. eta vs tors. theta energy: -51.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -617.777017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.777017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.777017 (E_RNA) where: Base-Base interactions energy: -362.940 where: short stacking energy: -205.114 Base-Backbone interact. energy: 0.806 local terms energy: -255.643141 where: bonds (distance) C4'-P energy: -61.068 bonds (distance) P-C4' energy: -45.733 flat angles C4'-P-C4' energy: -69.483 flat angles P-C4'-P energy: -49.568 tors. eta vs tors. theta energy: -29.791 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: 1 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -455.958992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.958992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.958992 (E_RNA) where: Base-Base interactions energy: -220.005 where: short stacking energy: -128.765 Base-Backbone interact. energy: -1.997 local terms energy: -233.957233 where: bonds (distance) C4'-P energy: -56.846 bonds (distance) P-C4' energy: -71.442 flat angles C4'-P-C4' energy: -55.124 flat angles P-C4'-P energy: -47.727 tors. eta vs tors. theta energy: -2.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1425.490691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.490691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.490691 (E_RNA) where: Base-Base interactions energy: -983.340 where: short stacking energy: -436.095 Base-Backbone interact. energy: -0.341 local terms energy: -441.810030 where: bonds (distance) C4'-P energy: -81.001 bonds (distance) P-C4' energy: -81.293 flat angles C4'-P-C4' energy: -83.019 flat angles P-C4'-P energy: -61.623 tors. eta vs tors. theta energy: -134.874 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: 10 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1351.192761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.192761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.192761 (E_RNA) where: Base-Base interactions energy: -921.708 where: short stacking energy: -401.378 Base-Backbone interact. energy: -0.187 local terms energy: -429.297627 where: bonds (distance) C4'-P energy: -79.423 bonds (distance) P-C4' energy: -84.745 flat angles C4'-P-C4' energy: -85.319 flat angles P-C4'-P energy: -62.989 tors. eta vs tors. theta energy: -116.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1296.172807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.172807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.172807 (E_RNA) where: Base-Base interactions energy: -890.244 where: short stacking energy: -394.611 Base-Backbone interact. energy: -1.953 local terms energy: -403.976697 where: bonds (distance) C4'-P energy: -65.209 bonds (distance) P-C4' energy: -77.157 flat angles C4'-P-C4' energy: -85.659 flat angles P-C4'-P energy: -59.593 tors. eta vs tors. theta energy: -116.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1251.880810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.880810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.880810 (E_RNA) where: Base-Base interactions energy: -853.031 where: short stacking energy: -368.568 Base-Backbone interact. energy: 0.650 local terms energy: -399.500135 where: bonds (distance) C4'-P energy: -64.757 bonds (distance) P-C4' energy: -79.056 flat angles C4'-P-C4' energy: -91.039 flat angles P-C4'-P energy: -57.528 tors. eta vs tors. theta energy: -107.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1209.385476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.385476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.385476 (E_RNA) where: Base-Base interactions energy: -878.060 where: short stacking energy: -354.748 Base-Backbone interact. energy: -4.497 local terms energy: -326.828567 where: bonds (distance) C4'-P energy: -58.591 bonds (distance) P-C4' energy: -57.529 flat angles C4'-P-C4' energy: -74.874 flat angles P-C4'-P energy: -43.312 tors. eta vs tors. theta energy: -92.524 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: 345 Temperature: 1.150000 Total energy: -1029.662091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.662091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.662091 (E_RNA) where: Base-Base interactions energy: -689.398 where: short stacking energy: -299.467 Base-Backbone interact. energy: -1.483 local terms energy: -338.780503 where: bonds (distance) C4'-P energy: -65.266 bonds (distance) P-C4' energy: -68.052 flat angles C4'-P-C4' energy: -80.234 flat angles P-C4'-P energy: -54.567 tors. eta vs tors. theta energy: -70.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -882.507159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.507159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.507159 (E_RNA) where: Base-Base interactions energy: -569.839 where: short stacking energy: -267.836 Base-Backbone interact. energy: -0.688 local terms energy: -311.979940 where: bonds (distance) C4'-P energy: -68.972 bonds (distance) P-C4' energy: -70.574 flat angles C4'-P-C4' energy: -66.618 flat angles P-C4'-P energy: -41.331 tors. eta vs tors. theta energy: -64.485 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: 8, replica: 4 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -827.799192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.799192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.799192 (E_RNA) where: Base-Base interactions energy: -528.152 where: short stacking energy: -252.882 Base-Backbone interact. energy: -1.946 local terms energy: -297.701006 where: bonds (distance) C4'-P energy: -70.322 bonds (distance) P-C4' energy: -58.669 flat angles C4'-P-C4' energy: -61.363 flat angles P-C4'-P energy: -46.746 tors. eta vs tors. theta energy: -60.600 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: 9, replica: 2 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -583.570935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.570935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.570935 (E_RNA) where: Base-Base interactions energy: -336.757 where: short stacking energy: -169.682 Base-Backbone interact. energy: -1.543 local terms energy: -245.270647 where: bonds (distance) C4'-P energy: -66.430 bonds (distance) P-C4' energy: -68.565 flat angles C4'-P-C4' energy: -58.025 flat angles P-C4'-P energy: -34.269 tors. eta vs tors. theta energy: -17.981 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: 345 Temperature: 1.350000 Total energy: -529.077100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.077100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.077100 (E_RNA) where: Base-Base interactions energy: -281.737 where: short stacking energy: -141.812 Base-Backbone interact. energy: -1.630 local terms energy: -245.710334 where: bonds (distance) C4'-P energy: -76.055 bonds (distance) P-C4' energy: -54.403 flat angles C4'-P-C4' energy: -61.112 flat angles P-C4'-P energy: -40.279 tors. eta vs tors. theta energy: -13.861 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: 9 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1418.363856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.363856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.363856 (E_RNA) where: Base-Base interactions energy: -980.242 where: short stacking energy: -425.887 Base-Backbone interact. energy: -2.680 local terms energy: -435.442394 where: bonds (distance) C4'-P energy: -73.868 bonds (distance) P-C4' energy: -87.634 flat angles C4'-P-C4' energy: -90.201 flat angles P-C4'-P energy: -55.817 tors. eta vs tors. theta energy: -127.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1368.079976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.079976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.079976 (E_RNA) where: Base-Base interactions energy: -943.046 where: short stacking energy: -409.631 Base-Backbone interact. energy: 0.373 local terms energy: -425.406409 where: bonds (distance) C4'-P energy: -81.311 bonds (distance) P-C4' energy: -85.664 flat angles C4'-P-C4' energy: -88.442 flat angles P-C4'-P energy: -57.214 tors. eta vs tors. theta energy: -112.774 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: 5 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1283.012190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.012190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.012190 (E_RNA) where: Base-Base interactions energy: -892.948 where: short stacking energy: -384.776 Base-Backbone interact. energy: -1.478 local terms energy: -388.585835 where: bonds (distance) C4'-P energy: -57.700 bonds (distance) P-C4' energy: -74.182 flat angles C4'-P-C4' energy: -93.028 flat angles P-C4'-P energy: -51.894 tors. eta vs tors. theta energy: -111.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1240.503187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.503187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.503187 (E_RNA) where: Base-Base interactions energy: -852.634 where: short stacking energy: -369.930 Base-Backbone interact. energy: -1.797 local terms energy: -386.072800 where: bonds (distance) C4'-P energy: -70.945 bonds (distance) P-C4' energy: -70.031 flat angles C4'-P-C4' energy: -81.330 flat angles P-C4'-P energy: -55.751 tors. eta vs tors. theta energy: -108.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1188.661148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.661148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.661148 (E_RNA) where: Base-Base interactions energy: -803.282 where: short stacking energy: -343.709 Base-Backbone interact. energy: -2.108 local terms energy: -383.271494 where: bonds (distance) C4'-P energy: -71.722 bonds (distance) P-C4' energy: -73.598 flat angles C4'-P-C4' energy: -83.442 flat angles P-C4'-P energy: -54.883 tors. eta vs tors. theta energy: -99.627 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: 346 Temperature: 1.150000 Total energy: -1020.323076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.323076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.323076 (E_RNA) where: Base-Base interactions energy: -694.355 where: short stacking energy: -322.297 Base-Backbone interact. energy: 0.415 local terms energy: -326.383479 where: bonds (distance) C4'-P energy: -73.638 bonds (distance) P-C4' energy: -68.389 flat angles C4'-P-C4' energy: -70.595 flat angles P-C4'-P energy: -38.663 tors. eta vs tors. theta energy: -75.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -903.873687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.873687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.873687 (E_RNA) where: Base-Base interactions energy: -584.541 where: short stacking energy: -261.511 Base-Backbone interact. energy: 0.799 local terms energy: -320.131656 where: bonds (distance) C4'-P energy: -61.965 bonds (distance) P-C4' energy: -60.176 flat angles C4'-P-C4' energy: -81.094 flat angles P-C4'-P energy: -55.882 tors. eta vs tors. theta energy: -61.015 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: 4 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -816.711782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.711782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.711782 (E_RNA) where: Base-Base interactions energy: -524.440 where: short stacking energy: -248.403 Base-Backbone interact. energy: -1.590 local terms energy: -290.681149 where: bonds (distance) C4'-P energy: -62.921 bonds (distance) P-C4' energy: -59.746 flat angles C4'-P-C4' energy: -69.008 flat angles P-C4'-P energy: -46.588 tors. eta vs tors. theta energy: -52.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -664.588500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.588500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.588500 (E_RNA) where: Base-Base interactions energy: -393.450 where: short stacking energy: -197.689 Base-Backbone interact. energy: -0.994 local terms energy: -270.144733 where: bonds (distance) C4'-P energy: -75.474 bonds (distance) P-C4' energy: -73.478 flat angles C4'-P-C4' energy: -66.912 flat angles P-C4'-P energy: -20.496 tors. eta vs tors. theta energy: -33.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -500.532666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.532666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.532666 (E_RNA) where: Base-Base interactions energy: -259.267 where: short stacking energy: -151.983 Base-Backbone interact. energy: -1.768 local terms energy: -239.497402 where: bonds (distance) C4'-P energy: -47.095 bonds (distance) P-C4' energy: -72.100 flat angles C4'-P-C4' energy: -63.141 flat angles P-C4'-P energy: -42.252 tors. eta vs tors. theta energy: -14.910 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: 9 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1422.729466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.729466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.729466 (E_RNA) where: Base-Base interactions energy: -982.240 where: short stacking energy: -416.558 Base-Backbone interact. energy: -2.947 local terms energy: -437.542444 where: bonds (distance) C4'-P energy: -80.284 bonds (distance) P-C4' energy: -73.645 flat angles C4'-P-C4' energy: -91.802 flat angles P-C4'-P energy: -67.670 tors. eta vs tors. theta energy: -124.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1392.743836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.743836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.743836 (E_RNA) where: Base-Base interactions energy: -944.819 where: short stacking energy: -416.519 Base-Backbone interact. energy: -0.751 local terms energy: -447.173915 where: bonds (distance) C4'-P energy: -80.517 bonds (distance) P-C4' energy: -84.015 flat angles C4'-P-C4' energy: -98.198 flat angles P-C4'-P energy: -62.826 tors. eta vs tors. theta energy: -121.619 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: 347 Temperature: 1.000000 Total energy: -1286.789307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.789307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.789307 (E_RNA) where: Base-Base interactions energy: -868.880 where: short stacking energy: -387.509 Base-Backbone interact. energy: -2.298 local terms energy: -415.611321 where: bonds (distance) C4'-P energy: -72.098 bonds (distance) P-C4' energy: -84.171 flat angles C4'-P-C4' energy: -89.258 flat angles P-C4'-P energy: -54.777 tors. eta vs tors. theta energy: -115.307 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: 8 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1272.192429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.192429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.192429 (E_RNA) where: Base-Base interactions energy: -901.022 where: short stacking energy: -382.225 Base-Backbone interact. energy: -0.022 local terms energy: -371.147806 where: bonds (distance) C4'-P energy: -70.783 bonds (distance) P-C4' energy: -66.056 flat angles C4'-P-C4' energy: -82.117 flat angles P-C4'-P energy: -47.753 tors. eta vs tors. theta energy: -104.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1203.840866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.840866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.840866 (E_RNA) where: Base-Base interactions energy: -823.280 where: short stacking energy: -355.131 Base-Backbone interact. energy: -1.731 local terms energy: -378.829847 where: bonds (distance) C4'-P energy: -66.139 bonds (distance) P-C4' energy: -74.932 flat angles C4'-P-C4' energy: -84.315 flat angles P-C4'-P energy: -58.033 tors. eta vs tors. theta energy: -95.410 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: 3 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1031.074914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.074914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.074914 (E_RNA) where: Base-Base interactions energy: -707.188 where: short stacking energy: -300.498 Base-Backbone interact. energy: 3.470 local terms energy: -327.356728 where: bonds (distance) C4'-P energy: -55.417 bonds (distance) P-C4' energy: -76.244 flat angles C4'-P-C4' energy: -79.077 flat angles P-C4'-P energy: -48.621 tors. eta vs tors. theta energy: -67.998 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: 7, replica: 7 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -889.550286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.550286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.550286 (E_RNA) where: Base-Base interactions energy: -606.696 where: short stacking energy: -265.441 Base-Backbone interact. energy: -0.389 local terms energy: -282.465147 where: bonds (distance) C4'-P energy: -64.627 bonds (distance) P-C4' energy: -68.271 flat angles C4'-P-C4' energy: -56.298 flat angles P-C4'-P energy: -34.733 tors. eta vs tors. theta energy: -58.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -847.044997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.044997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.044997 (E_RNA) where: Base-Base interactions energy: -548.032 where: short stacking energy: -264.374 Base-Backbone interact. energy: -1.315 local terms energy: -297.697418 where: bonds (distance) C4'-P energy: -61.701 bonds (distance) P-C4' energy: -75.750 flat angles C4'-P-C4' energy: -66.816 flat angles P-C4'-P energy: -37.912 tors. eta vs tors. theta energy: -55.518 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: 2 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -613.348389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.348389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.348389 (E_RNA) where: Base-Base interactions energy: -353.475 where: short stacking energy: -187.961 Base-Backbone interact. energy: -1.086 local terms energy: -258.786730 where: bonds (distance) C4'-P energy: -63.496 bonds (distance) P-C4' energy: -72.092 flat angles C4'-P-C4' energy: -54.342 flat angles P-C4'-P energy: -43.265 tors. eta vs tors. theta energy: -25.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -486.114882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.114882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.114882 (E_RNA) where: Base-Base interactions energy: -278.251 where: short stacking energy: -141.151 Base-Backbone interact. energy: -1.657 local terms energy: -206.207285 where: bonds (distance) C4'-P energy: -64.861 bonds (distance) P-C4' energy: -58.072 flat angles C4'-P-C4' energy: -44.428 flat angles P-C4'-P energy: -34.217 tors. eta vs tors. theta energy: -4.630 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: 9 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1429.021506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.021506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.021506 (E_RNA) where: Base-Base interactions energy: -1001.474 where: short stacking energy: -422.706 Base-Backbone interact. energy: -1.835 local terms energy: -425.713342 where: bonds (distance) C4'-P energy: -70.898 bonds (distance) P-C4' energy: -77.978 flat angles C4'-P-C4' energy: -86.719 flat angles P-C4'-P energy: -61.089 tors. eta vs tors. theta energy: -129.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1357.523054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.523054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.523054 (E_RNA) where: Base-Base interactions energy: -948.006 where: short stacking energy: -403.194 Base-Backbone interact. energy: 0.319 local terms energy: -409.835809 where: bonds (distance) C4'-P energy: -66.466 bonds (distance) P-C4' energy: -79.759 flat angles C4'-P-C4' energy: -86.460 flat angles P-C4'-P energy: -58.699 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: 3, replica: 5 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1285.250742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.250742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.250742 (E_RNA) where: Base-Base interactions energy: -880.428 where: short stacking energy: -398.595 Base-Backbone interact. energy: 2.229 local terms energy: -407.052055 where: bonds (distance) C4'-P energy: -72.872 bonds (distance) P-C4' energy: -86.233 flat angles C4'-P-C4' energy: -87.577 flat angles P-C4'-P energy: -52.510 tors. eta vs tors. theta energy: -107.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1228.635824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.635824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.635824 (E_RNA) where: Base-Base interactions energy: -875.477 where: short stacking energy: -342.434 Base-Backbone interact. energy: 0.881 local terms energy: -354.038962 where: bonds (distance) C4'-P energy: -73.189 bonds (distance) P-C4' energy: -71.522 flat angles C4'-P-C4' energy: -70.978 flat angles P-C4'-P energy: -51.280 tors. eta vs tors. theta energy: -87.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1187.283512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.283512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.283512 (E_RNA) where: Base-Base interactions energy: -826.128 where: short stacking energy: -355.734 Base-Backbone interact. energy: 0.941 local terms energy: -362.096229 where: bonds (distance) C4'-P energy: -69.809 bonds (distance) P-C4' energy: -59.233 flat angles C4'-P-C4' energy: -79.454 flat angles P-C4'-P energy: -56.175 tors. eta vs tors. theta energy: -97.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1048.334292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.334292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.334292 (E_RNA) where: Base-Base interactions energy: -714.181 where: short stacking energy: -305.447 Base-Backbone interact. energy: -2.908 local terms energy: -331.245924 where: bonds (distance) C4'-P energy: -69.148 bonds (distance) P-C4' energy: -69.287 flat angles C4'-P-C4' energy: -68.349 flat angles P-C4'-P energy: -45.523 tors. eta vs tors. theta energy: -78.938 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: 4 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -940.355837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.355837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.355837 (E_RNA) where: Base-Base interactions energy: -612.289 where: short stacking energy: -266.108 Base-Backbone interact. energy: -1.596 local terms energy: -326.470826 where: bonds (distance) C4'-P energy: -61.826 bonds (distance) P-C4' energy: -77.125 flat angles C4'-P-C4' energy: -73.231 flat angles P-C4'-P energy: -40.933 tors. eta vs tors. theta energy: -73.355 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: 7 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -857.046242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.046242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.046242 (E_RNA) where: Base-Base interactions energy: -543.549 where: short stacking energy: -252.883 Base-Backbone interact. energy: -1.159 local terms energy: -312.338270 where: bonds (distance) C4'-P energy: -72.277 bonds (distance) P-C4' energy: -77.031 flat angles C4'-P-C4' energy: -61.210 flat angles P-C4'-P energy: -48.706 tors. eta vs tors. theta energy: -53.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -622.954277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.954277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.954277 (E_RNA) where: Base-Base interactions energy: -350.217 where: short stacking energy: -184.432 Base-Backbone interact. energy: 3.468 local terms energy: -276.205995 where: bonds (distance) C4'-P energy: -72.012 bonds (distance) P-C4' energy: -67.170 flat angles C4'-P-C4' energy: -76.096 flat angles P-C4'-P energy: -40.924 tors. eta vs tors. theta energy: -20.004 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: 10, replica: 1 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -509.062678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.062678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.062678 (E_RNA) where: Base-Base interactions energy: -269.549 where: short stacking energy: -157.958 Base-Backbone interact. energy: -0.474 local terms energy: -239.040084 where: bonds (distance) C4'-P energy: -58.450 bonds (distance) P-C4' energy: -67.292 flat angles C4'-P-C4' energy: -62.102 flat angles P-C4'-P energy: -39.968 tors. eta vs tors. theta energy: -11.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1415.643979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.643979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.643979 (E_RNA) where: Base-Base interactions energy: -984.844 where: short stacking energy: -416.964 Base-Backbone interact. energy: -1.418 local terms energy: -429.382012 where: bonds (distance) C4'-P energy: -74.758 bonds (distance) P-C4' energy: -74.301 flat angles C4'-P-C4' energy: -90.770 flat angles P-C4'-P energy: -60.559 tors. eta vs tors. theta energy: -128.994 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: 349 Temperature: 0.950000 Total energy: -1390.865424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.865424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.865424 (E_RNA) where: Base-Base interactions energy: -971.801 where: short stacking energy: -406.611 Base-Backbone interact. energy: 3.256 local terms energy: -422.319602 where: bonds (distance) C4'-P energy: -74.262 bonds (distance) P-C4' energy: -82.944 flat angles C4'-P-C4' energy: -82.029 flat angles P-C4'-P energy: -63.896 tors. eta vs tors. theta energy: -119.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1277.970608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.970608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.970608 (E_RNA) where: Base-Base interactions energy: -876.233 where: short stacking energy: -380.153 Base-Backbone interact. energy: -1.339 local terms energy: -400.399259 where: bonds (distance) C4'-P energy: -75.795 bonds (distance) P-C4' energy: -79.446 flat angles C4'-P-C4' energy: -80.486 flat angles P-C4'-P energy: -54.410 tors. eta vs tors. theta energy: -110.262 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: 4, replica: 8 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1244.079951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.079951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.079951 (E_RNA) where: Base-Base interactions energy: -866.158 where: short stacking energy: -363.391 Base-Backbone interact. energy: 2.054 local terms energy: -379.975917 where: bonds (distance) C4'-P energy: -80.256 bonds (distance) P-C4' energy: -76.375 flat angles C4'-P-C4' energy: -74.697 flat angles P-C4'-P energy: -53.141 tors. eta vs tors. theta energy: -95.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1199.293843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.293843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.293843 (E_RNA) where: Base-Base interactions energy: -811.884 where: short stacking energy: -352.690 Base-Backbone interact. energy: -0.153 local terms energy: -387.257151 where: bonds (distance) C4'-P energy: -80.399 bonds (distance) P-C4' energy: -62.775 flat angles C4'-P-C4' energy: -72.151 flat angles P-C4'-P energy: -62.140 tors. eta vs tors. theta energy: -109.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -993.488704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.488704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.488704 (E_RNA) where: Base-Base interactions energy: -646.422 where: short stacking energy: -290.194 Base-Backbone interact. energy: -0.574 local terms energy: -346.493076 where: bonds (distance) C4'-P energy: -72.143 bonds (distance) P-C4' energy: -73.760 flat angles C4'-P-C4' energy: -89.426 flat angles P-C4'-P energy: -41.157 tors. eta vs tors. theta energy: -70.007 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: 3 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -988.235685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.235685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.235685 (E_RNA) where: Base-Base interactions energy: -686.525 where: short stacking energy: -282.749 Base-Backbone interact. energy: 3.839 local terms energy: -305.549309 where: bonds (distance) C4'-P energy: -64.041 bonds (distance) P-C4' energy: -67.053 flat angles C4'-P-C4' energy: -66.879 flat angles P-C4'-P energy: -40.270 tors. eta vs tors. theta energy: -67.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -852.404346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.404346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.404346 (E_RNA) where: Base-Base interactions energy: -554.492 where: short stacking energy: -242.017 Base-Backbone interact. energy: 4.481 local terms energy: -302.393324 where: bonds (distance) C4'-P energy: -71.940 bonds (distance) P-C4' energy: -71.495 flat angles C4'-P-C4' energy: -59.015 flat angles P-C4'-P energy: -53.524 tors. eta vs tors. theta energy: -46.420 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: 2 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -573.945206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.945206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.945206 (E_RNA) where: Base-Base interactions energy: -307.994 where: short stacking energy: -168.132 Base-Backbone interact. energy: -0.290 local terms energy: -265.660523 where: bonds (distance) C4'-P energy: -77.518 bonds (distance) P-C4' energy: -54.809 flat angles C4'-P-C4' energy: -69.621 flat angles P-C4'-P energy: -38.877 tors. eta vs tors. theta energy: -24.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -467.701032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.701032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.701032 (E_RNA) where: Base-Base interactions energy: -252.626 where: short stacking energy: -143.294 Base-Backbone interact. energy: -1.950 local terms energy: -213.125057 where: bonds (distance) C4'-P energy: -63.711 bonds (distance) P-C4' energy: -68.849 flat angles C4'-P-C4' energy: -48.412 flat angles P-C4'-P energy: -30.353 tors. eta vs tors. theta energy: -1.801 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: 1, replica: 9 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1398.003038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.003038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.003038 (E_RNA) where: Base-Base interactions energy: -954.695 where: short stacking energy: -415.699 Base-Backbone interact. energy: -1.322 local terms energy: -441.986316 where: bonds (distance) C4'-P energy: -83.614 bonds (distance) P-C4' energy: -79.427 flat angles C4'-P-C4' energy: -95.138 flat angles P-C4'-P energy: -55.653 tors. eta vs tors. theta energy: -128.155 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: 10 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1378.617927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.617927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.617927 (E_RNA) where: Base-Base interactions energy: -944.980 where: short stacking energy: -416.611 Base-Backbone interact. energy: 1.341 local terms energy: -434.978320 where: bonds (distance) C4'-P energy: -74.564 bonds (distance) P-C4' energy: -84.642 flat angles C4'-P-C4' energy: -90.177 flat angles P-C4'-P energy: -64.812 tors. eta vs tors. theta energy: -120.784 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: 5 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1316.008657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.008657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.008657 (E_RNA) where: Base-Base interactions energy: -898.305 where: short stacking energy: -404.948 Base-Backbone interact. energy: -2.561 local terms energy: -415.141681 where: bonds (distance) C4'-P energy: -76.885 bonds (distance) P-C4' energy: -79.956 flat angles C4'-P-C4' energy: -90.429 flat angles P-C4'-P energy: -59.010 tors. eta vs tors. theta energy: -108.862 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: 4, replica: 8 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1236.455815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.455815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.455815 (E_RNA) where: Base-Base interactions energy: -878.492 where: short stacking energy: -342.903 Base-Backbone interact. energy: 0.596 local terms energy: -358.560178 where: bonds (distance) C4'-P energy: -61.638 bonds (distance) P-C4' energy: -76.170 flat angles C4'-P-C4' energy: -75.374 flat angles P-C4'-P energy: -50.702 tors. eta vs tors. theta energy: -94.675 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: 5, replica: 6 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1200.305162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.305162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.305162 (E_RNA) where: Base-Base interactions energy: -813.696 where: short stacking energy: -365.715 Base-Backbone interact. energy: -1.728 local terms energy: -384.881119 where: bonds (distance) C4'-P energy: -78.823 bonds (distance) P-C4' energy: -75.955 flat angles C4'-P-C4' energy: -76.361 flat angles P-C4'-P energy: -50.926 tors. eta vs tors. theta energy: -102.816 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: 4 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1024.107126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.107126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.107126 (E_RNA) where: Base-Base interactions energy: -689.039 where: short stacking energy: -314.188 Base-Backbone interact. energy: 0.046 local terms energy: -335.114397 where: bonds (distance) C4'-P energy: -69.162 bonds (distance) P-C4' energy: -65.376 flat angles C4'-P-C4' energy: -68.656 flat angles P-C4'-P energy: -49.464 tors. eta vs tors. theta energy: -82.456 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: 3 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1027.043292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.043292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.043292 (E_RNA) where: Base-Base interactions energy: -678.487 where: short stacking energy: -316.932 Base-Backbone interact. energy: -1.708 local terms energy: -346.848224 where: bonds (distance) C4'-P energy: -68.890 bonds (distance) P-C4' energy: -73.781 flat angles C4'-P-C4' energy: -84.094 flat angles P-C4'-P energy: -38.766 tors. eta vs tors. theta energy: -81.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -885.488826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.488826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.488826 (E_RNA) where: Base-Base interactions energy: -576.570 where: short stacking energy: -256.441 Base-Backbone interact. energy: -0.241 local terms energy: -308.677703 where: bonds (distance) C4'-P energy: -58.512 bonds (distance) P-C4' energy: -76.301 flat angles C4'-P-C4' energy: -65.063 flat angles P-C4'-P energy: -42.837 tors. eta vs tors. theta energy: -65.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -616.455642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.455642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.455642 (E_RNA) where: Base-Base interactions energy: -353.116 where: short stacking energy: -170.352 Base-Backbone interact. energy: -1.764 local terms energy: -261.575534 where: bonds (distance) C4'-P energy: -56.664 bonds (distance) P-C4' energy: -65.805 flat angles C4'-P-C4' energy: -69.604 flat angles P-C4'-P energy: -40.072 tors. eta vs tors. theta energy: -29.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -516.511565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.511565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.511565 (E_RNA) where: Base-Base interactions energy: -287.102 where: short stacking energy: -155.032 Base-Backbone interact. energy: 10.047 local terms energy: -239.456130 where: bonds (distance) C4'-P energy: -47.040 bonds (distance) P-C4' energy: -63.765 flat angles C4'-P-C4' energy: -72.436 flat angles P-C4'-P energy: -42.083 tors. eta vs tors. theta energy: -14.132 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: 9 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1427.350348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.350348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.350348 (E_RNA) where: Base-Base interactions energy: -1005.830 where: short stacking energy: -430.708 Base-Backbone interact. energy: 0.582 local terms energy: -422.102858 where: bonds (distance) C4'-P energy: -63.942 bonds (distance) P-C4' energy: -77.649 flat angles C4'-P-C4' energy: -95.134 flat angles P-C4'-P energy: -54.211 tors. eta vs tors. theta energy: -131.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1357.432485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.432485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.432485 (E_RNA) where: Base-Base interactions energy: -928.572 where: short stacking energy: -382.922 Base-Backbone interact. energy: 0.711 local terms energy: -429.570722 where: bonds (distance) C4'-P energy: -75.981 bonds (distance) P-C4' energy: -78.410 flat angles C4'-P-C4' energy: -84.102 flat angles P-C4'-P energy: -73.449 tors. eta vs tors. theta energy: -117.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1290.300625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.300625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.300625 (E_RNA) where: Base-Base interactions energy: -886.548 where: short stacking energy: -366.591 Base-Backbone interact. energy: -1.608 local terms energy: -402.144862 where: bonds (distance) C4'-P energy: -79.601 bonds (distance) P-C4' energy: -73.165 flat angles C4'-P-C4' energy: -86.462 flat angles P-C4'-P energy: -60.445 tors. eta vs tors. theta energy: -102.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1242.251611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.251611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.251611 (E_RNA) where: Base-Base interactions energy: -863.283 where: short stacking energy: -385.261 Base-Backbone interact. energy: -0.240 local terms energy: -378.728728 where: bonds (distance) C4'-P energy: -70.220 bonds (distance) P-C4' energy: -63.513 flat angles C4'-P-C4' energy: -78.737 flat angles P-C4'-P energy: -56.235 tors. eta vs tors. theta energy: -110.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1215.787915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.787915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.787915 (E_RNA) where: Base-Base interactions energy: -833.869 where: short stacking energy: -363.048 Base-Backbone interact. energy: -3.048 local terms energy: -378.870616 where: bonds (distance) C4'-P energy: -76.800 bonds (distance) P-C4' energy: -68.508 flat angles C4'-P-C4' energy: -74.947 flat angles P-C4'-P energy: -57.674 tors. eta vs tors. theta energy: -100.941 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: 4 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1041.555181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.555181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.555181 (E_RNA) where: Base-Base interactions energy: -701.046 where: short stacking energy: -334.366 Base-Backbone interact. energy: 0.269 local terms energy: -340.777641 where: bonds (distance) C4'-P energy: -66.618 bonds (distance) P-C4' energy: -68.976 flat angles C4'-P-C4' energy: -71.966 flat angles P-C4'-P energy: -49.181 tors. eta vs tors. theta energy: -84.036 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: 3 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -946.429430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.429430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.429430 (E_RNA) where: Base-Base interactions energy: -636.000 where: short stacking energy: -280.576 Base-Backbone interact. energy: 0.372 local terms energy: -310.800844 where: bonds (distance) C4'-P energy: -71.064 bonds (distance) P-C4' energy: -53.578 flat angles C4'-P-C4' energy: -76.340 flat angles P-C4'-P energy: -45.173 tors. eta vs tors. theta energy: -64.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -875.704804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.704804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.704804 (E_RNA) where: Base-Base interactions energy: -555.895 where: short stacking energy: -242.595 Base-Backbone interact. energy: -0.893 local terms energy: -318.916528 where: bonds (distance) C4'-P energy: -59.713 bonds (distance) P-C4' energy: -68.253 flat angles C4'-P-C4' energy: -79.779 flat angles P-C4'-P energy: -46.952 tors. eta vs tors. theta energy: -64.219 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: 2 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -595.750312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.750312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.750312 (E_RNA) where: Base-Base interactions energy: -347.169 where: short stacking energy: -185.559 Base-Backbone interact. energy: -1.513 local terms energy: -247.068471 where: bonds (distance) C4'-P energy: -69.308 bonds (distance) P-C4' energy: -53.074 flat angles C4'-P-C4' energy: -63.518 flat angles P-C4'-P energy: -37.816 tors. eta vs tors. theta energy: -23.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -490.004576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.004576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.004576 (E_RNA) where: Base-Base interactions energy: -253.149 where: short stacking energy: -118.769 Base-Backbone interact. energy: -1.793 local terms energy: -235.063050 where: bonds (distance) C4'-P energy: -50.572 bonds (distance) P-C4' energy: -72.424 flat angles C4'-P-C4' energy: -65.212 flat angles P-C4'-P energy: -38.519 tors. eta vs tors. theta energy: -8.336 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: 1, replica: 9 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1431.027422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.027422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.027422 (E_RNA) where: Base-Base interactions energy: -984.218 where: short stacking energy: -431.409 Base-Backbone interact. energy: -0.437 local terms energy: -446.371720 where: bonds (distance) C4'-P energy: -76.850 bonds (distance) P-C4' energy: -83.195 flat angles C4'-P-C4' energy: -92.375 flat angles P-C4'-P energy: -62.819 tors. eta vs tors. theta energy: -131.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1352.580030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.580030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.580030 (E_RNA) where: Base-Base interactions energy: -926.971 where: short stacking energy: -386.360 Base-Backbone interact. energy: -1.511 local terms energy: -424.098056 where: bonds (distance) C4'-P energy: -76.882 bonds (distance) P-C4' energy: -79.528 flat angles C4'-P-C4' energy: -87.528 flat angles P-C4'-P energy: -61.745 tors. eta vs tors. theta energy: -118.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1265.197444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.197444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.197444 (E_RNA) where: Base-Base interactions energy: -864.066 where: short stacking energy: -381.449 Base-Backbone interact. energy: -2.120 local terms energy: -399.010905 where: bonds (distance) C4'-P energy: -75.440 bonds (distance) P-C4' energy: -75.621 flat angles C4'-P-C4' energy: -82.368 flat angles P-C4'-P energy: -54.878 tors. eta vs tors. theta energy: -110.704 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: 4, replica: 5 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1271.086025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.086025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.086025 (E_RNA) where: Base-Base interactions energy: -882.115 where: short stacking energy: -370.424 Base-Backbone interact. energy: -0.393 local terms energy: -388.578589 where: bonds (distance) C4'-P energy: -67.306 bonds (distance) P-C4' energy: -74.956 flat angles C4'-P-C4' energy: -85.141 flat angles P-C4'-P energy: -58.521 tors. eta vs tors. theta energy: -102.655 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: 5, replica: 8 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1179.464889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.464889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.464889 (E_RNA) where: Base-Base interactions energy: -812.444 where: short stacking energy: -323.425 Base-Backbone interact. energy: 0.739 local terms energy: -367.759373 where: bonds (distance) C4'-P energy: -61.788 bonds (distance) P-C4' energy: -78.285 flat angles C4'-P-C4' energy: -87.806 flat angles P-C4'-P energy: -47.237 tors. eta vs tors. theta energy: -92.643 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: 4 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1000.374809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.374809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.374809 (E_RNA) where: Base-Base interactions energy: -666.763 where: short stacking energy: -301.565 Base-Backbone interact. energy: -2.688 local terms energy: -330.923173 where: bonds (distance) C4'-P energy: -78.993 bonds (distance) P-C4' energy: -60.550 flat angles C4'-P-C4' energy: -72.993 flat angles P-C4'-P energy: -41.828 tors. eta vs tors. theta energy: -76.558 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: 352 Temperature: 1.200000 Total energy: -991.881002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.881002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.881002 (E_RNA) where: Base-Base interactions energy: -671.612 where: short stacking energy: -279.370 Base-Backbone interact. energy: -2.111 local terms energy: -318.157690 where: bonds (distance) C4'-P energy: -71.238 bonds (distance) P-C4' energy: -68.116 flat angles C4'-P-C4' energy: -72.151 flat angles P-C4'-P energy: -42.636 tors. eta vs tors. theta energy: -64.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -904.287660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.287660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.287660 (E_RNA) where: Base-Base interactions energy: -586.650 where: short stacking energy: -257.594 Base-Backbone interact. energy: 0.585 local terms energy: -318.222685 where: bonds (distance) C4'-P energy: -65.268 bonds (distance) P-C4' energy: -73.126 flat angles C4'-P-C4' energy: -74.915 flat angles P-C4'-P energy: -41.875 tors. eta vs tors. theta energy: -63.038 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: 2 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -614.092601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.092601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.092601 (E_RNA) where: Base-Base interactions energy: -353.147 where: short stacking energy: -201.199 Base-Backbone interact. energy: 1.685 local terms energy: -262.630481 where: bonds (distance) C4'-P energy: -65.260 bonds (distance) P-C4' energy: -64.522 flat angles C4'-P-C4' energy: -65.055 flat angles P-C4'-P energy: -32.560 tors. eta vs tors. theta energy: -35.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -484.851513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.851513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.851513 (E_RNA) where: Base-Base interactions energy: -236.418 where: short stacking energy: -142.562 Base-Backbone interact. energy: -2.023 local terms energy: -246.410555 where: bonds (distance) C4'-P energy: -65.737 bonds (distance) P-C4' energy: -62.017 flat angles C4'-P-C4' energy: -60.737 flat angles P-C4'-P energy: -42.331 tors. eta vs tors. theta energy: -15.588 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: 9 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1429.319122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.319122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.319122 (E_RNA) where: Base-Base interactions energy: -965.594 where: short stacking energy: -428.049 Base-Backbone interact. energy: -2.537 local terms energy: -461.188678 where: bonds (distance) C4'-P energy: -87.835 bonds (distance) P-C4' energy: -82.611 flat angles C4'-P-C4' energy: -87.409 flat angles P-C4'-P energy: -66.097 tors. eta vs tors. theta energy: -137.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1368.188968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.188968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.188968 (E_RNA) where: Base-Base interactions energy: -948.964 where: short stacking energy: -394.016 Base-Backbone interact. energy: 1.162 local terms energy: -420.387502 where: bonds (distance) C4'-P energy: -78.734 bonds (distance) P-C4' energy: -69.628 flat angles C4'-P-C4' energy: -91.571 flat angles P-C4'-P energy: -65.083 tors. eta vs tors. theta energy: -115.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1283.945502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.945502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.945502 (E_RNA) where: Base-Base interactions energy: -890.889 where: short stacking energy: -391.477 Base-Backbone interact. energy: 0.651 local terms energy: -393.708017 where: bonds (distance) C4'-P energy: -60.686 bonds (distance) P-C4' energy: -76.456 flat angles C4'-P-C4' energy: -85.678 flat angles P-C4'-P energy: -69.501 tors. eta vs tors. theta energy: -101.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1301.004950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.004950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.004950 (E_RNA) where: Base-Base interactions energy: -888.642 where: short stacking energy: -378.438 Base-Backbone interact. energy: -3.170 local terms energy: -409.193191 where: bonds (distance) C4'-P energy: -83.694 bonds (distance) P-C4' energy: -64.509 flat angles C4'-P-C4' energy: -87.298 flat angles P-C4'-P energy: -60.182 tors. eta vs tors. theta energy: -113.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1208.895165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.895165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.895165 (E_RNA) where: Base-Base interactions energy: -837.859 where: short stacking energy: -358.029 Base-Backbone interact. energy: -0.326 local terms energy: -370.709470 where: bonds (distance) C4'-P energy: -64.731 bonds (distance) P-C4' energy: -84.347 flat angles C4'-P-C4' energy: -81.055 flat angles P-C4'-P energy: -49.369 tors. eta vs tors. theta energy: -91.207 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: 3 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1037.703595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.703595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.703595 (E_RNA) where: Base-Base interactions energy: -707.390 where: short stacking energy: -294.614 Base-Backbone interact. energy: 0.900 local terms energy: -331.213556 where: bonds (distance) C4'-P energy: -73.214 bonds (distance) P-C4' energy: -65.462 flat angles C4'-P-C4' energy: -68.462 flat angles P-C4'-P energy: -52.066 tors. eta vs tors. theta energy: -72.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -908.052079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.052079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.052079 (E_RNA) where: Base-Base interactions energy: -578.935 where: short stacking energy: -262.235 Base-Backbone interact. energy: -0.343 local terms energy: -328.774421 where: bonds (distance) C4'-P energy: -64.216 bonds (distance) P-C4' energy: -78.729 flat angles C4'-P-C4' energy: -71.383 flat angles P-C4'-P energy: -51.812 tors. eta vs tors. theta energy: -62.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -862.136516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.136516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.136516 (E_RNA) where: Base-Base interactions energy: -593.917 where: short stacking energy: -244.268 Base-Backbone interact. energy: -4.230 local terms energy: -263.988741 where: bonds (distance) C4'-P energy: -56.271 bonds (distance) P-C4' energy: -70.562 flat angles C4'-P-C4' energy: -65.406 flat angles P-C4'-P energy: -25.927 tors. eta vs tors. theta energy: -45.822 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: 2 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -603.141337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.141337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.141337 (E_RNA) where: Base-Base interactions energy: -346.468 where: short stacking energy: -187.860 Base-Backbone interact. energy: -3.968 local terms energy: -252.705890 where: bonds (distance) C4'-P energy: -73.767 bonds (distance) P-C4' energy: -60.074 flat angles C4'-P-C4' energy: -53.175 flat angles P-C4'-P energy: -39.346 tors. eta vs tors. theta energy: -26.345 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: 1 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -455.573158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.573158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.573158 (E_RNA) where: Base-Base interactions energy: -221.052 where: short stacking energy: -132.989 Base-Backbone interact. energy: 0.623 local terms energy: -235.144778 where: bonds (distance) C4'-P energy: -57.171 bonds (distance) P-C4' energy: -67.559 flat angles C4'-P-C4' energy: -59.602 flat angles P-C4'-P energy: -41.559 tors. eta vs tors. theta energy: -9.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1451.616066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.616066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.616066 (E_RNA) where: Base-Base interactions energy: -1011.342 where: short stacking energy: -440.795 Base-Backbone interact. energy: -1.549 local terms energy: -438.725113 where: bonds (distance) C4'-P energy: -79.734 bonds (distance) P-C4' energy: -79.748 flat angles C4'-P-C4' energy: -91.585 flat angles P-C4'-P energy: -53.296 tors. eta vs tors. theta energy: -134.362 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: 10 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1383.856665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.856665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.856665 (E_RNA) where: Base-Base interactions energy: -965.619 where: short stacking energy: -423.958 Base-Backbone interact. energy: -2.367 local terms energy: -415.870557 where: bonds (distance) C4'-P energy: -74.748 bonds (distance) P-C4' energy: -83.173 flat angles C4'-P-C4' energy: -80.472 flat angles P-C4'-P energy: -61.331 tors. eta vs tors. theta energy: -116.146 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: 5 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1319.322898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.322898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.322898 (E_RNA) where: Base-Base interactions energy: -895.332 where: short stacking energy: -391.805 Base-Backbone interact. energy: 2.317 local terms energy: -426.307213 where: bonds (distance) C4'-P energy: -77.134 bonds (distance) P-C4' energy: -82.145 flat angles C4'-P-C4' energy: -92.792 flat angles P-C4'-P energy: -56.026 tors. eta vs tors. theta energy: -118.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1250.918690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.918690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.918690 (E_RNA) where: Base-Base interactions energy: -859.000 where: short stacking energy: -362.244 Base-Backbone interact. energy: -0.324 local terms energy: -391.594068 where: bonds (distance) C4'-P energy: -75.366 bonds (distance) P-C4' energy: -80.026 flat angles C4'-P-C4' energy: -80.662 flat angles P-C4'-P energy: -53.798 tors. eta vs tors. theta energy: -101.743 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: 8 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1190.798230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.798230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.798230 (E_RNA) where: Base-Base interactions energy: -825.950 where: short stacking energy: -328.761 Base-Backbone interact. energy: -2.816 local terms energy: -362.032335 where: bonds (distance) C4'-P energy: -55.827 bonds (distance) P-C4' energy: -77.538 flat angles C4'-P-C4' energy: -81.065 flat angles P-C4'-P energy: -59.722 tors. eta vs tors. theta energy: -87.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1036.246212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.246212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.246212 (E_RNA) where: Base-Base interactions energy: -710.513 where: short stacking energy: -318.338 Base-Backbone interact. energy: 1.933 local terms energy: -327.666721 where: bonds (distance) C4'-P energy: -64.960 bonds (distance) P-C4' energy: -67.330 flat angles C4'-P-C4' energy: -73.252 flat angles P-C4'-P energy: -52.881 tors. eta vs tors. theta energy: -69.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -941.450521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.450521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.450521 (E_RNA) where: Base-Base interactions energy: -635.249 where: short stacking energy: -296.000 Base-Backbone interact. energy: -0.676 local terms energy: -305.526053 where: bonds (distance) C4'-P energy: -60.847 bonds (distance) P-C4' energy: -64.528 flat angles C4'-P-C4' energy: -66.914 flat angles P-C4'-P energy: -46.920 tors. eta vs tors. theta energy: -66.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -854.456780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.456780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.456780 (E_RNA) where: Base-Base interactions energy: -562.692 where: short stacking energy: -259.837 Base-Backbone interact. energy: 5.087 local terms energy: -296.851505 where: bonds (distance) C4'-P energy: -55.942 bonds (distance) P-C4' energy: -60.447 flat angles C4'-P-C4' energy: -64.586 flat angles P-C4'-P energy: -45.672 tors. eta vs tors. theta energy: -70.205 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: 2 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -580.053958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.053958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.053958 (E_RNA) where: Base-Base interactions energy: -321.263 where: short stacking energy: -176.232 Base-Backbone interact. energy: 4.834 local terms energy: -263.624370 where: bonds (distance) C4'-P energy: -64.802 bonds (distance) P-C4' energy: -67.395 flat angles C4'-P-C4' energy: -63.705 flat angles P-C4'-P energy: -43.341 tors. eta vs tors. theta energy: -24.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -484.387792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.387792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.387792 (E_RNA) where: Base-Base interactions energy: -235.834 where: short stacking energy: -146.531 Base-Backbone interact. energy: 1.221 local terms energy: -249.774083 where: bonds (distance) C4'-P energy: -73.907 bonds (distance) P-C4' energy: -61.059 flat angles C4'-P-C4' energy: -52.250 flat angles P-C4'-P energy: -39.595 tors. eta vs tors. theta energy: -22.963 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: 9 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1462.628710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.628710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.628710 (E_RNA) where: Base-Base interactions energy: -1007.846 where: short stacking energy: -434.072 Base-Backbone interact. energy: -1.772 local terms energy: -453.010008 where: bonds (distance) C4'-P energy: -76.767 bonds (distance) P-C4' energy: -87.833 flat angles C4'-P-C4' energy: -94.078 flat angles P-C4'-P energy: -59.310 tors. eta vs tors. theta energy: -135.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1377.935984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.935984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.935984 (E_RNA) where: Base-Base interactions energy: -942.493 where: short stacking energy: -396.162 Base-Backbone interact. energy: -1.557 local terms energy: -433.885216 where: bonds (distance) C4'-P energy: -84.636 bonds (distance) P-C4' energy: -74.094 flat angles C4'-P-C4' energy: -90.795 flat angles P-C4'-P energy: -58.424 tors. eta vs tors. theta energy: -125.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1320.762752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.762752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.762752 (E_RNA) where: Base-Base interactions energy: -911.261 where: short stacking energy: -400.535 Base-Backbone interact. energy: -1.145 local terms energy: -408.357088 where: bonds (distance) C4'-P energy: -77.378 bonds (distance) P-C4' energy: -69.193 flat angles C4'-P-C4' energy: -90.740 flat angles P-C4'-P energy: -51.241 tors. eta vs tors. theta energy: -119.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1250.693703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.693703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.693703 (E_RNA) where: Base-Base interactions energy: -868.325 where: short stacking energy: -354.214 Base-Backbone interact. energy: -0.581 local terms energy: -381.787433 where: bonds (distance) C4'-P energy: -68.899 bonds (distance) P-C4' energy: -79.283 flat angles C4'-P-C4' energy: -89.860 flat angles P-C4'-P energy: -54.590 tors. eta vs tors. theta energy: -89.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1152.739116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.739116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.739116 (E_RNA) where: Base-Base interactions energy: -800.133 where: short stacking energy: -314.629 Base-Backbone interact. energy: 0.962 local terms energy: -353.567629 where: bonds (distance) C4'-P energy: -73.631 bonds (distance) P-C4' energy: -62.507 flat angles C4'-P-C4' energy: -79.005 flat angles P-C4'-P energy: -53.756 tors. eta vs tors. theta energy: -84.668 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: 6, replica: 3 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1093.732528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.732528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.732528 (E_RNA) where: Base-Base interactions energy: -743.329 where: short stacking energy: -325.165 Base-Backbone interact. energy: -1.899 local terms energy: -348.504456 where: bonds (distance) C4'-P energy: -70.238 bonds (distance) P-C4' energy: -76.784 flat angles C4'-P-C4' energy: -71.309 flat angles P-C4'-P energy: -46.180 tors. eta vs tors. theta energy: -83.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1016.246717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.246717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.246717 (E_RNA) where: Base-Base interactions energy: -656.658 where: short stacking energy: -282.286 Base-Backbone interact. energy: -1.691 local terms energy: -357.897876 where: bonds (distance) C4'-P energy: -63.988 bonds (distance) P-C4' energy: -75.113 flat angles C4'-P-C4' energy: -82.072 flat angles P-C4'-P energy: -60.296 tors. eta vs tors. theta energy: -76.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -856.122225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.122225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.122225 (E_RNA) where: Base-Base interactions energy: -558.338 where: short stacking energy: -236.738 Base-Backbone interact. energy: -1.717 local terms energy: -296.067330 where: bonds (distance) C4'-P energy: -61.248 bonds (distance) P-C4' energy: -66.294 flat angles C4'-P-C4' energy: -73.542 flat angles P-C4'-P energy: -48.921 tors. eta vs tors. theta energy: -46.063 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: 9, replica: 2 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -537.708829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.708829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.708829 (E_RNA) where: Base-Base interactions energy: -277.621 where: short stacking energy: -154.559 Base-Backbone interact. energy: 1.123 local terms energy: -261.211187 where: bonds (distance) C4'-P energy: -65.339 bonds (distance) P-C4' energy: -78.758 flat angles C4'-P-C4' energy: -67.242 flat angles P-C4'-P energy: -29.412 tors. eta vs tors. theta energy: -20.460 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: 1 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -450.522559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.522559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.522559 (E_RNA) where: Base-Base interactions energy: -225.497 where: short stacking energy: -117.342 Base-Backbone interact. energy: 1.404 local terms energy: -226.429506 where: bonds (distance) C4'-P energy: -65.412 bonds (distance) P-C4' energy: -81.008 flat angles C4'-P-C4' energy: -60.339 flat angles P-C4'-P energy: -27.332 tors. eta vs tors. theta energy: 7.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1448.241556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.241556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.241556 (E_RNA) where: Base-Base interactions energy: -1003.939 where: short stacking energy: -439.992 Base-Backbone interact. energy: 0.539 local terms energy: -444.841467 where: bonds (distance) C4'-P energy: -80.416 bonds (distance) P-C4' energy: -83.415 flat angles C4'-P-C4' energy: -84.563 flat angles P-C4'-P energy: -65.600 tors. eta vs tors. theta energy: -130.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1373.794294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.794294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.794294 (E_RNA) where: Base-Base interactions energy: -942.042 where: short stacking energy: -409.342 Base-Backbone interact. energy: -1.067 local terms energy: -430.684581 where: bonds (distance) C4'-P energy: -71.152 bonds (distance) P-C4' energy: -85.799 flat angles C4'-P-C4' energy: -94.788 flat angles P-C4'-P energy: -63.210 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: 3, replica: 5 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1305.918687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.918687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.918687 (E_RNA) where: Base-Base interactions energy: -924.085 where: short stacking energy: -385.146 Base-Backbone interact. energy: -0.917 local terms energy: -380.916699 where: bonds (distance) C4'-P energy: -68.958 bonds (distance) P-C4' energy: -61.300 flat angles C4'-P-C4' energy: -86.938 flat angles P-C4'-P energy: -62.073 tors. eta vs tors. theta energy: -101.648 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: 6 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1254.039095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.039095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.039095 (E_RNA) where: Base-Base interactions energy: -864.591 where: short stacking energy: -388.112 Base-Backbone interact. energy: 0.309 local terms energy: -389.756718 where: bonds (distance) C4'-P energy: -71.312 bonds (distance) P-C4' energy: -79.263 flat angles C4'-P-C4' energy: -78.057 flat angles P-C4'-P energy: -59.297 tors. eta vs tors. theta energy: -101.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1199.396536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.396536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.396536 (E_RNA) where: Base-Base interactions energy: -832.504 where: short stacking energy: -350.760 Base-Backbone interact. energy: -3.160 local terms energy: -363.732962 where: bonds (distance) C4'-P energy: -64.024 bonds (distance) P-C4' energy: -70.237 flat angles C4'-P-C4' energy: -86.770 flat angles P-C4'-P energy: -48.286 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: 6, replica: 3 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1052.345558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.345558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.345558 (E_RNA) where: Base-Base interactions energy: -733.412 where: short stacking energy: -303.389 Base-Backbone interact. energy: 1.004 local terms energy: -319.937653 where: bonds (distance) C4'-P energy: -46.304 bonds (distance) P-C4' energy: -79.783 flat angles C4'-P-C4' energy: -79.022 flat angles P-C4'-P energy: -36.945 tors. eta vs tors. theta energy: -77.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -988.677262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.677262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.677262 (E_RNA) where: Base-Base interactions energy: -651.032 where: short stacking energy: -302.158 Base-Backbone interact. energy: -1.109 local terms energy: -336.535798 where: bonds (distance) C4'-P energy: -70.005 bonds (distance) P-C4' energy: -68.735 flat angles C4'-P-C4' energy: -77.181 flat angles P-C4'-P energy: -49.850 tors. eta vs tors. theta energy: -70.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -881.327421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.327421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.327421 (E_RNA) where: Base-Base interactions energy: -562.806 where: short stacking energy: -225.780 Base-Backbone interact. energy: -0.239 local terms energy: -318.282257 where: bonds (distance) C4'-P energy: -63.067 bonds (distance) P-C4' energy: -71.892 flat angles C4'-P-C4' energy: -78.527 flat angles P-C4'-P energy: -51.483 tors. eta vs tors. theta energy: -53.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -591.208200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.208200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.208200 (E_RNA) where: Base-Base interactions energy: -345.417 where: short stacking energy: -153.816 Base-Backbone interact. energy: 4.137 local terms energy: -249.927410 where: bonds (distance) C4'-P energy: -68.635 bonds (distance) P-C4' energy: -76.582 flat angles C4'-P-C4' energy: -58.117 flat angles P-C4'-P energy: -42.866 tors. eta vs tors. theta energy: -3.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -490.652506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.652506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.652506 (E_RNA) where: Base-Base interactions energy: -260.127 where: short stacking energy: -141.714 Base-Backbone interact. energy: 0.219 local terms energy: -230.744277 where: bonds (distance) C4'-P energy: -62.576 bonds (distance) P-C4' energy: -71.418 flat angles C4'-P-C4' energy: -54.323 flat angles P-C4'-P energy: -36.807 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: 1, replica: 9 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1464.668437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.668437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.668437 (E_RNA) where: Base-Base interactions energy: -1010.184 where: short stacking energy: -436.004 Base-Backbone interact. energy: -1.243 local terms energy: -453.241631 where: bonds (distance) C4'-P energy: -78.482 bonds (distance) P-C4' energy: -84.106 flat angles C4'-P-C4' energy: -97.084 flat angles P-C4'-P energy: -62.993 tors. eta vs tors. theta energy: -130.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1370.610912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.610912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.610912 (E_RNA) where: Base-Base interactions energy: -937.661 where: short stacking energy: -394.364 Base-Backbone interact. energy: -2.475 local terms energy: -430.475338 where: bonds (distance) C4'-P energy: -70.125 bonds (distance) P-C4' energy: -80.553 flat angles C4'-P-C4' energy: -95.083 flat angles P-C4'-P energy: -65.600 tors. eta vs tors. theta energy: -119.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1291.353788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.353788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.353788 (E_RNA) where: Base-Base interactions energy: -892.233 where: short stacking energy: -364.741 Base-Backbone interact. energy: -3.342 local terms energy: -395.779390 where: bonds (distance) C4'-P energy: -79.520 bonds (distance) P-C4' energy: -74.339 flat angles C4'-P-C4' energy: -81.575 flat angles P-C4'-P energy: -56.743 tors. eta vs tors. theta energy: -103.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1245.441544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.441544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.441544 (E_RNA) where: Base-Base interactions energy: -844.073 where: short stacking energy: -379.806 Base-Backbone interact. energy: -2.179 local terms energy: -399.189730 where: bonds (distance) C4'-P energy: -71.393 bonds (distance) P-C4' energy: -71.776 flat angles C4'-P-C4' energy: -84.173 flat angles P-C4'-P energy: -59.581 tors. eta vs tors. theta energy: -112.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1217.666541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.666541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.666541 (E_RNA) where: Base-Base interactions energy: -840.133 where: short stacking energy: -347.726 Base-Backbone interact. energy: -4.829 local terms energy: -372.705004 where: bonds (distance) C4'-P energy: -73.918 bonds (distance) P-C4' energy: -59.889 flat angles C4'-P-C4' energy: -81.017 flat angles P-C4'-P energy: -53.166 tors. eta vs tors. theta energy: -104.715 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: 6, replica: 3 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1038.035491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.035491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.035491 (E_RNA) where: Base-Base interactions energy: -706.569 where: short stacking energy: -306.736 Base-Backbone interact. energy: -2.028 local terms energy: -329.438647 where: bonds (distance) C4'-P energy: -67.752 bonds (distance) P-C4' energy: -58.967 flat angles C4'-P-C4' energy: -66.309 flat angles P-C4'-P energy: -54.635 tors. eta vs tors. theta energy: -81.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -955.552591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.552591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.552591 (E_RNA) where: Base-Base interactions energy: -615.112 where: short stacking energy: -276.595 Base-Backbone interact. energy: 0.741 local terms energy: -341.182070 where: bonds (distance) C4'-P energy: -68.677 bonds (distance) P-C4' energy: -80.131 flat angles C4'-P-C4' energy: -76.229 flat angles P-C4'-P energy: -41.505 tors. eta vs tors. theta energy: -74.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -934.484072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.484072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.484072 (E_RNA) where: Base-Base interactions energy: -633.341 where: short stacking energy: -279.974 Base-Backbone interact. energy: -0.734 local terms energy: -300.408748 where: bonds (distance) C4'-P energy: -56.468 bonds (distance) P-C4' energy: -61.282 flat angles C4'-P-C4' energy: -72.177 flat angles P-C4'-P energy: -44.150 tors. eta vs tors. theta energy: -66.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -614.724034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.724034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.724034 (E_RNA) where: Base-Base interactions energy: -363.551 where: short stacking energy: -176.789 Base-Backbone interact. energy: 0.144 local terms energy: -251.317472 where: bonds (distance) C4'-P energy: -71.354 bonds (distance) P-C4' energy: -59.238 flat angles C4'-P-C4' energy: -55.708 flat angles P-C4'-P energy: -38.114 tors. eta vs tors. theta energy: -26.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -472.547551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.547551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.547551 (E_RNA) where: Base-Base interactions energy: -243.210 where: short stacking energy: -134.645 Base-Backbone interact. energy: 1.579 local terms energy: -230.916440 where: bonds (distance) C4'-P energy: -74.009 bonds (distance) P-C4' energy: -73.290 flat angles C4'-P-C4' energy: -53.276 flat angles P-C4'-P energy: -24.576 tors. eta vs tors. theta energy: -5.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1455.575451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.575451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.575451 (E_RNA) where: Base-Base interactions energy: -1009.220 where: short stacking energy: -424.681 Base-Backbone interact. energy: -2.417 local terms energy: -443.938341 where: bonds (distance) C4'-P energy: -88.181 bonds (distance) P-C4' energy: -75.472 flat angles C4'-P-C4' energy: -90.235 flat angles P-C4'-P energy: -61.990 tors. eta vs tors. theta energy: -128.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1335.043182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.043182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.043182 (E_RNA) where: Base-Base interactions energy: -904.843 where: short stacking energy: -399.049 Base-Backbone interact. energy: -0.672 local terms energy: -429.528539 where: bonds (distance) C4'-P energy: -80.282 bonds (distance) P-C4' energy: -71.348 flat angles C4'-P-C4' energy: -94.386 flat angles P-C4'-P energy: -66.204 tors. eta vs tors. theta energy: -117.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1245.389331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.389331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.389331 (E_RNA) where: Base-Base interactions energy: -864.714 where: short stacking energy: -360.805 Base-Backbone interact. energy: 0.375 local terms energy: -381.050671 where: bonds (distance) C4'-P energy: -71.907 bonds (distance) P-C4' energy: -78.512 flat angles C4'-P-C4' energy: -78.195 flat angles P-C4'-P energy: -55.771 tors. eta vs tors. theta energy: -96.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1208.067771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.067771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.067771 (E_RNA) where: Base-Base interactions energy: -820.030 where: short stacking energy: -352.029 Base-Backbone interact. energy: -3.043 local terms energy: -384.994840 where: bonds (distance) C4'-P energy: -83.718 bonds (distance) P-C4' energy: -68.166 flat angles C4'-P-C4' energy: -72.356 flat angles P-C4'-P energy: -61.184 tors. eta vs tors. theta energy: -99.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1190.088343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.088343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.088343 (E_RNA) where: Base-Base interactions energy: -841.564 where: short stacking energy: -327.179 Base-Backbone interact. energy: 1.223 local terms energy: -349.747914 where: bonds (distance) C4'-P energy: -68.318 bonds (distance) P-C4' energy: -69.931 flat angles C4'-P-C4' energy: -78.520 flat angles P-C4'-P energy: -48.914 tors. eta vs tors. theta energy: -84.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1027.843689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.843689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.843689 (E_RNA) where: Base-Base interactions energy: -715.269 where: short stacking energy: -295.717 Base-Backbone interact. energy: -1.344 local terms energy: -311.230711 where: bonds (distance) C4'-P energy: -66.544 bonds (distance) P-C4' energy: -71.896 flat angles C4'-P-C4' energy: -68.307 flat angles P-C4'-P energy: -45.179 tors. eta vs tors. theta energy: -59.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -984.179165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.179165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.179165 (E_RNA) where: Base-Base interactions energy: -653.297 where: short stacking energy: -327.544 Base-Backbone interact. energy: -1.377 local terms energy: -329.504966 where: bonds (distance) C4'-P energy: -57.653 bonds (distance) P-C4' energy: -61.608 flat angles C4'-P-C4' energy: -81.372 flat angles P-C4'-P energy: -46.396 tors. eta vs tors. theta energy: -82.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -914.703598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.703598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.703598 (E_RNA) where: Base-Base interactions energy: -604.057 where: short stacking energy: -260.522 Base-Backbone interact. energy: -2.123 local terms energy: -308.523715 where: bonds (distance) C4'-P energy: -64.972 bonds (distance) P-C4' energy: -63.028 flat angles C4'-P-C4' energy: -68.010 flat angles P-C4'-P energy: -52.512 tors. eta vs tors. theta energy: -60.002 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: 358 Temperature: 1.300000 Total energy: -500.606334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.606334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.606334 (E_RNA) where: Base-Base interactions energy: -281.515 where: short stacking energy: -155.487 Base-Backbone interact. energy: -0.988 local terms energy: -218.103619 where: bonds (distance) C4'-P energy: -69.257 bonds (distance) P-C4' energy: -59.802 flat angles C4'-P-C4' energy: -52.046 flat angles P-C4'-P energy: -25.819 tors. eta vs tors. theta energy: -11.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -605.695038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.695038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.695038 (E_RNA) where: Base-Base interactions energy: -349.138 where: short stacking energy: -148.117 Base-Backbone interact. energy: -2.382 local terms energy: -254.174742 where: bonds (distance) C4'-P energy: -53.806 bonds (distance) P-C4' energy: -76.327 flat angles C4'-P-C4' energy: -68.232 flat angles P-C4'-P energy: -28.054 tors. eta vs tors. theta energy: -27.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1466.212959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.212959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.212959 (E_RNA) where: Base-Base interactions energy: -1024.428 where: short stacking energy: -461.313 Base-Backbone interact. energy: -0.413 local terms energy: -441.371832 where: bonds (distance) C4'-P energy: -81.252 bonds (distance) P-C4' energy: -74.570 flat angles C4'-P-C4' energy: -96.603 flat angles P-C4'-P energy: -57.162 tors. eta vs tors. theta energy: -131.784 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: 2, replica: 10 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1354.685049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.685049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.685049 (E_RNA) where: Base-Base interactions energy: -950.182 where: short stacking energy: -399.047 Base-Backbone interact. energy: -0.426 local terms energy: -404.077720 where: bonds (distance) C4'-P energy: -79.946 bonds (distance) P-C4' energy: -54.197 flat angles C4'-P-C4' energy: -89.461 flat angles P-C4'-P energy: -61.899 tors. eta vs tors. theta energy: -118.574 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: 359 Temperature: 1.000000 Total energy: -1241.248942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.248942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.248942 (E_RNA) where: Base-Base interactions energy: -839.801 where: short stacking energy: -352.371 Base-Backbone interact. energy: -3.067 local terms energy: -398.381749 where: bonds (distance) C4'-P energy: -66.239 bonds (distance) P-C4' energy: -80.975 flat angles C4'-P-C4' energy: -84.537 flat angles P-C4'-P energy: -58.008 tors. eta vs tors. theta energy: -108.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1254.908600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.908600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.908600 (E_RNA) where: Base-Base interactions energy: -857.748 where: short stacking energy: -378.046 Base-Backbone interact. energy: -1.665 local terms energy: -395.495563 where: bonds (distance) C4'-P energy: -73.665 bonds (distance) P-C4' energy: -71.172 flat angles C4'-P-C4' energy: -95.066 flat angles P-C4'-P energy: -47.238 tors. eta vs tors. theta energy: -108.354 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: 8 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1180.151661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.151661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.151661 (E_RNA) where: Base-Base interactions energy: -821.507 where: short stacking energy: -334.550 Base-Backbone interact. energy: 0.670 local terms energy: -359.314155 where: bonds (distance) C4'-P energy: -68.959 bonds (distance) P-C4' energy: -73.700 flat angles C4'-P-C4' energy: -80.957 flat angles P-C4'-P energy: -48.276 tors. eta vs tors. theta energy: -87.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1007.821902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.821902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.821902 (E_RNA) where: Base-Base interactions energy: -648.529 where: short stacking energy: -306.045 Base-Backbone interact. energy: -1.760 local terms energy: -357.533266 where: bonds (distance) C4'-P energy: -63.281 bonds (distance) P-C4' energy: -79.270 flat angles C4'-P-C4' energy: -81.816 flat angles P-C4'-P energy: -54.617 tors. eta vs tors. theta energy: -78.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1070.246028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.246028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.246028 (E_RNA) where: Base-Base interactions energy: -721.790 where: short stacking energy: -293.755 Base-Backbone interact. energy: 0.367 local terms energy: -348.822800 where: bonds (distance) C4'-P energy: -70.342 bonds (distance) P-C4' energy: -73.629 flat angles C4'-P-C4' energy: -79.498 flat angles P-C4'-P energy: -45.324 tors. eta vs tors. theta energy: -80.031 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: 8, replica: 7 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -841.131809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.131809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.131809 (E_RNA) where: Base-Base interactions energy: -568.904 where: short stacking energy: -248.754 Base-Backbone interact. energy: 1.975 local terms energy: -274.203262 where: bonds (distance) C4'-P energy: -53.286 bonds (distance) P-C4' energy: -70.309 flat angles C4'-P-C4' energy: -56.206 flat angles P-C4'-P energy: -41.153 tors. eta vs tors. theta energy: -53.248 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: 359 Temperature: 1.300000 Total energy: -495.522915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.522915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.522915 (E_RNA) where: Base-Base interactions energy: -250.305 where: short stacking energy: -142.085 Base-Backbone interact. energy: -1.306 local terms energy: -243.912043 where: bonds (distance) C4'-P energy: -63.930 bonds (distance) P-C4' energy: -74.955 flat angles C4'-P-C4' energy: -62.322 flat angles P-C4'-P energy: -35.574 tors. eta vs tors. theta energy: -7.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -576.918252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.918252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.918252 (E_RNA) where: Base-Base interactions energy: -335.285 where: short stacking energy: -154.423 Base-Backbone interact. energy: -1.883 local terms energy: -239.749514 where: bonds (distance) C4'-P energy: -67.836 bonds (distance) P-C4' energy: -65.236 flat angles C4'-P-C4' energy: -53.472 flat angles P-C4'-P energy: -33.925 tors. eta vs tors. theta energy: -19.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1460.276175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.276175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.276175 (E_RNA) where: Base-Base interactions energy: -1013.347 where: short stacking energy: -434.980 Base-Backbone interact. energy: -1.402 local terms energy: -445.526523 where: bonds (distance) C4'-P energy: -71.470 bonds (distance) P-C4' energy: -79.728 flat angles C4'-P-C4' energy: -89.445 flat angles P-C4'-P energy: -68.598 tors. eta vs tors. theta energy: -136.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1366.109616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.109616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.109616 (E_RNA) where: Base-Base interactions energy: -947.395 where: short stacking energy: -423.737 Base-Backbone interact. energy: 1.255 local terms energy: -419.970034 where: bonds (distance) C4'-P energy: -70.896 bonds (distance) P-C4' energy: -66.959 flat angles C4'-P-C4' energy: -94.023 flat angles P-C4'-P energy: -66.665 tors. eta vs tors. theta energy: -121.427 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: 5 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1266.409372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.409372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.409372 (E_RNA) where: Base-Base interactions energy: -874.974 where: short stacking energy: -378.585 Base-Backbone interact. energy: -0.548 local terms energy: -390.887895 where: bonds (distance) C4'-P energy: -75.487 bonds (distance) P-C4' energy: -76.455 flat angles C4'-P-C4' energy: -84.487 flat angles P-C4'-P energy: -48.433 tors. eta vs tors. theta energy: -106.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1266.365020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.365020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.365020 (E_RNA) where: Base-Base interactions energy: -840.443 where: short stacking energy: -386.074 Base-Backbone interact. energy: -1.004 local terms energy: -424.917548 where: bonds (distance) C4'-P energy: -70.662 bonds (distance) P-C4' energy: -84.417 flat angles C4'-P-C4' energy: -93.806 flat angles P-C4'-P energy: -68.917 tors. eta vs tors. theta energy: -107.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1170.546008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.546008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.546008 (E_RNA) where: Base-Base interactions energy: -810.516 where: short stacking energy: -357.578 Base-Backbone interact. energy: -1.315 local terms energy: -358.715315 where: bonds (distance) C4'-P energy: -67.090 bonds (distance) P-C4' energy: -63.416 flat angles C4'-P-C4' energy: -82.612 flat angles P-C4'-P energy: -51.951 tors. eta vs tors. theta energy: -93.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -959.325339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.325339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.325339 (E_RNA) where: Base-Base interactions energy: -617.924 where: short stacking energy: -273.544 Base-Backbone interact. energy: -2.261 local terms energy: -339.140237 where: bonds (distance) C4'-P energy: -60.399 bonds (distance) P-C4' energy: -79.494 flat angles C4'-P-C4' energy: -71.686 flat angles P-C4'-P energy: -54.470 tors. eta vs tors. theta energy: -73.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1071.465550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.465550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.465550 (E_RNA) where: Base-Base interactions energy: -742.133 where: short stacking energy: -288.137 Base-Backbone interact. energy: 0.624 local terms energy: -329.955906 where: bonds (distance) C4'-P energy: -73.091 bonds (distance) P-C4' energy: -55.161 flat angles C4'-P-C4' energy: -69.142 flat angles P-C4'-P energy: -44.516 tors. eta vs tors. theta energy: -88.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -853.668942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.668942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.668942 (E_RNA) where: Base-Base interactions energy: -572.492 where: short stacking energy: -252.028 Base-Backbone interact. energy: -0.539 local terms energy: -280.638041 where: bonds (distance) C4'-P energy: -48.442 bonds (distance) P-C4' energy: -67.505 flat angles C4'-P-C4' energy: -57.135 flat angles P-C4'-P energy: -53.104 tors. eta vs tors. theta energy: -54.451 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: 2 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -593.872520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.872520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.872520 (E_RNA) where: Base-Base interactions energy: -348.795 where: short stacking energy: -177.075 Base-Backbone interact. energy: -1.830 local terms energy: -243.247642 where: bonds (distance) C4'-P energy: -52.344 bonds (distance) P-C4' energy: -66.540 flat angles C4'-P-C4' energy: -60.153 flat angles P-C4'-P energy: -41.129 tors. eta vs tors. theta energy: -23.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -408.110751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.110751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.110751 (E_RNA) where: Base-Base interactions energy: -184.563 where: short stacking energy: -112.448 Base-Backbone interact. energy: -2.360 local terms energy: -221.187939 where: bonds (distance) C4'-P energy: -51.401 bonds (distance) P-C4' energy: -73.139 flat angles C4'-P-C4' energy: -77.081 flat angles P-C4'-P energy: -29.665 tors. eta vs tors. theta energy: 10.099 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: 1, replica: 9 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1454.556183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.556183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.556183 (E_RNA) where: Base-Base interactions energy: -1010.532 where: short stacking energy: -449.442 Base-Backbone interact. energy: 5.096 local terms energy: -449.120057 where: bonds (distance) C4'-P energy: -86.392 bonds (distance) P-C4' energy: -79.622 flat angles C4'-P-C4' energy: -84.601 flat angles P-C4'-P energy: -58.437 tors. eta vs tors. theta energy: -140.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1384.806683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.806683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.806683 (E_RNA) where: Base-Base interactions energy: -958.699 where: short stacking energy: -416.778 Base-Backbone interact. energy: 1.108 local terms energy: -427.215459 where: bonds (distance) C4'-P energy: -69.609 bonds (distance) P-C4' energy: -91.743 flat angles C4'-P-C4' energy: -93.077 flat angles P-C4'-P energy: -56.997 tors. eta vs tors. theta energy: -115.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1291.769701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.769701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.769701 (E_RNA) where: Base-Base interactions energy: -905.950 where: short stacking energy: -384.365 Base-Backbone interact. energy: -2.080 local terms energy: -383.740323 where: bonds (distance) C4'-P energy: -66.843 bonds (distance) P-C4' energy: -75.601 flat angles C4'-P-C4' energy: -83.193 flat angles P-C4'-P energy: -55.289 tors. eta vs tors. theta energy: -102.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1247.056747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.056747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.056747 (E_RNA) where: Base-Base interactions energy: -849.234 where: short stacking energy: -364.112 Base-Backbone interact. energy: -2.279 local terms energy: -395.542803 where: bonds (distance) C4'-P energy: -80.210 bonds (distance) P-C4' energy: -70.932 flat angles C4'-P-C4' energy: -89.810 flat angles P-C4'-P energy: -48.003 tors. eta vs tors. theta energy: -106.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1178.646160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.646160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.646160 (E_RNA) where: Base-Base interactions energy: -816.829 where: short stacking energy: -349.335 Base-Backbone interact. energy: -0.346 local terms energy: -361.471383 where: bonds (distance) C4'-P energy: -51.980 bonds (distance) P-C4' energy: -72.434 flat angles C4'-P-C4' energy: -86.045 flat angles P-C4'-P energy: -58.598 tors. eta vs tors. theta energy: -92.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1050.633755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.633755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.633755 (E_RNA) where: Base-Base interactions energy: -728.354 where: short stacking energy: -287.695 Base-Backbone interact. energy: -0.356 local terms energy: -321.923911 where: bonds (distance) C4'-P energy: -64.890 bonds (distance) P-C4' energy: -76.912 flat angles C4'-P-C4' energy: -70.867 flat angles P-C4'-P energy: -41.424 tors. eta vs tors. theta energy: -67.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -943.432771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.432771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.432771 (E_RNA) where: Base-Base interactions energy: -623.478 where: short stacking energy: -299.062 Base-Backbone interact. energy: 2.160 local terms energy: -322.115086 where: bonds (distance) C4'-P energy: -71.970 bonds (distance) P-C4' energy: -55.673 flat angles C4'-P-C4' energy: -78.897 flat angles P-C4'-P energy: -45.847 tors. eta vs tors. theta energy: -69.728 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: 8, replica: 2 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -588.359786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.359786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.359786 (E_RNA) where: Base-Base interactions energy: -347.125 where: short stacking energy: -187.772 Base-Backbone interact. energy: -0.605 local terms energy: -240.629998 where: bonds (distance) C4'-P energy: -70.360 bonds (distance) P-C4' energy: -67.856 flat angles C4'-P-C4' energy: -62.163 flat angles P-C4'-P energy: -18.706 tors. eta vs tors. theta energy: -21.545 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: 7 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -804.792259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.792259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.792259 (E_RNA) where: Base-Base interactions energy: -538.263 where: short stacking energy: -246.280 Base-Backbone interact. energy: -0.402 local terms energy: -266.127549 where: bonds (distance) C4'-P energy: -59.095 bonds (distance) P-C4' energy: -67.901 flat angles C4'-P-C4' energy: -53.513 flat angles P-C4'-P energy: -29.673 tors. eta vs tors. theta energy: -55.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -424.359065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.359065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.359065 (E_RNA) where: Base-Base interactions energy: -199.536 where: short stacking energy: -126.598 Base-Backbone interact. energy: -0.706 local terms energy: -224.116975 where: bonds (distance) C4'-P energy: -69.609 bonds (distance) P-C4' energy: -75.050 flat angles C4'-P-C4' energy: -34.282 flat angles P-C4'-P energy: -39.689 tors. eta vs tors. theta energy: -5.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1466.917455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.917455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.917455 (E_RNA) where: Base-Base interactions energy: -1005.987 where: short stacking energy: -443.466 Base-Backbone interact. energy: -2.564 local terms energy: -458.366759 where: bonds (distance) C4'-P energy: -77.602 bonds (distance) P-C4' energy: -82.921 flat angles C4'-P-C4' energy: -98.050 flat angles P-C4'-P energy: -61.634 tors. eta vs tors. theta energy: -138.160 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: 362 Temperature: 0.950000 Total energy: -1357.775762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.775762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.775762 (E_RNA) where: Base-Base interactions energy: -949.797 where: short stacking energy: -411.538 Base-Backbone interact. energy: 1.118 local terms energy: -409.096628 where: bonds (distance) C4'-P energy: -64.116 bonds (distance) P-C4' energy: -81.696 flat angles C4'-P-C4' energy: -93.094 flat angles P-C4'-P energy: -53.509 tors. eta vs tors. theta energy: -116.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1279.889794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.889794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.889794 (E_RNA) where: Base-Base interactions energy: -870.983 where: short stacking energy: -387.922 Base-Backbone interact. energy: 0.234 local terms energy: -409.140253 where: bonds (distance) C4'-P energy: -79.714 bonds (distance) P-C4' energy: -80.932 flat angles C4'-P-C4' energy: -83.673 flat angles P-C4'-P energy: -52.557 tors. eta vs tors. theta energy: -112.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1268.643888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.643888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.643888 (E_RNA) where: Base-Base interactions energy: -876.440 where: short stacking energy: -382.145 Base-Backbone interact. energy: -1.062 local terms energy: -391.141726 where: bonds (distance) C4'-P energy: -66.835 bonds (distance) P-C4' energy: -78.052 flat angles C4'-P-C4' energy: -84.077 flat angles P-C4'-P energy: -56.948 tors. eta vs tors. theta energy: -105.229 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: 8 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1174.356776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.356776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.356776 (E_RNA) where: Base-Base interactions energy: -808.688 where: short stacking energy: -306.151 Base-Backbone interact. energy: -0.973 local terms energy: -364.695909 where: bonds (distance) C4'-P energy: -64.158 bonds (distance) P-C4' energy: -74.757 flat angles C4'-P-C4' energy: -85.785 flat angles P-C4'-P energy: -45.286 tors. eta vs tors. theta energy: -94.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1097.891874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.891874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.891874 (E_RNA) where: Base-Base interactions energy: -765.598 where: short stacking energy: -313.121 Base-Backbone interact. energy: -0.622 local terms energy: -331.671583 where: bonds (distance) C4'-P energy: -52.282 bonds (distance) P-C4' energy: -74.634 flat angles C4'-P-C4' energy: -84.366 flat angles P-C4'-P energy: -44.734 tors. eta vs tors. theta energy: -75.655 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: 7, replica: 4 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -988.103053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.103053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.103053 (E_RNA) where: Base-Base interactions energy: -654.656 where: short stacking energy: -311.962 Base-Backbone interact. energy: -1.821 local terms energy: -331.626334 where: bonds (distance) C4'-P energy: -59.621 bonds (distance) P-C4' energy: -62.569 flat angles C4'-P-C4' energy: -79.818 flat angles P-C4'-P energy: -45.788 tors. eta vs tors. theta energy: -83.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -627.125378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.125378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.125378 (E_RNA) where: Base-Base interactions energy: -345.550 where: short stacking energy: -175.893 Base-Backbone interact. energy: -0.090 local terms energy: -281.484673 where: bonds (distance) C4'-P energy: -65.551 bonds (distance) P-C4' energy: -75.105 flat angles C4'-P-C4' energy: -76.946 flat angles P-C4'-P energy: -36.042 tors. eta vs tors. theta energy: -27.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -794.650547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.650547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.650547 (E_RNA) where: Base-Base interactions energy: -535.481 where: short stacking energy: -235.462 Base-Backbone interact. energy: -2.604 local terms energy: -256.565167 where: bonds (distance) C4'-P energy: -53.609 bonds (distance) P-C4' energy: -57.708 flat angles C4'-P-C4' energy: -66.201 flat angles P-C4'-P energy: -31.601 tors. eta vs tors. theta energy: -47.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -418.391554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.391554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.391554 (E_RNA) where: Base-Base interactions energy: -210.369 where: short stacking energy: -106.032 Base-Backbone interact. energy: -0.176 local terms energy: -207.847003 where: bonds (distance) C4'-P energy: -64.185 bonds (distance) P-C4' energy: -60.257 flat angles C4'-P-C4' energy: -57.761 flat angles P-C4'-P energy: -36.803 tors. eta vs tors. theta energy: 11.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1457.822379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.822379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.822379 (E_RNA) where: Base-Base interactions energy: -1008.767 where: short stacking energy: -449.669 Base-Backbone interact. energy: -1.328 local terms energy: -447.726743 where: bonds (distance) C4'-P energy: -79.190 bonds (distance) P-C4' energy: -84.868 flat angles C4'-P-C4' energy: -85.225 flat angles P-C4'-P energy: -57.636 tors. eta vs tors. theta energy: -140.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1357.636084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.636084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.636084 (E_RNA) where: Base-Base interactions energy: -944.161 where: short stacking energy: -402.799 Base-Backbone interact. energy: -1.995 local terms energy: -411.480581 where: bonds (distance) C4'-P energy: -64.675 bonds (distance) P-C4' energy: -74.702 flat angles C4'-P-C4' energy: -96.944 flat angles P-C4'-P energy: -57.725 tors. eta vs tors. theta energy: -117.435 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: 3, replica: 5 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1302.737881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.737881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.737881 (E_RNA) where: Base-Base interactions energy: -894.390 where: short stacking energy: -393.809 Base-Backbone interact. energy: -0.795 local terms energy: -407.553110 where: bonds (distance) C4'-P energy: -63.622 bonds (distance) P-C4' energy: -82.210 flat angles C4'-P-C4' energy: -90.544 flat angles P-C4'-P energy: -51.206 tors. eta vs tors. theta energy: -119.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1250.467360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.467360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.467360 (E_RNA) where: Base-Base interactions energy: -852.339 where: short stacking energy: -360.014 Base-Backbone interact. energy: -2.308 local terms energy: -395.820828 where: bonds (distance) C4'-P energy: -71.909 bonds (distance) P-C4' energy: -68.787 flat angles C4'-P-C4' energy: -86.199 flat angles P-C4'-P energy: -60.781 tors. eta vs tors. theta energy: -108.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1178.428058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.428058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.428058 (E_RNA) where: Base-Base interactions energy: -826.669 where: short stacking energy: -333.254 Base-Backbone interact. energy: -2.643 local terms energy: -349.116133 where: bonds (distance) C4'-P energy: -59.458 bonds (distance) P-C4' energy: -62.960 flat angles C4'-P-C4' energy: -72.012 flat angles P-C4'-P energy: -57.018 tors. eta vs tors. theta energy: -97.668 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: 6, replica: 3 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1151.315702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.315702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.315702 (E_RNA) where: Base-Base interactions energy: -810.267 where: short stacking energy: -336.285 Base-Backbone interact. energy: 0.873 local terms energy: -341.921126 where: bonds (distance) C4'-P energy: -60.713 bonds (distance) P-C4' energy: -63.960 flat angles C4'-P-C4' energy: -74.190 flat angles P-C4'-P energy: -50.775 tors. eta vs tors. theta energy: -92.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -963.158864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.158864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.158864 (E_RNA) where: Base-Base interactions energy: -624.288 where: short stacking energy: -288.772 Base-Backbone interact. energy: 0.250 local terms energy: -339.120610 where: bonds (distance) C4'-P energy: -68.596 bonds (distance) P-C4' energy: -67.233 flat angles C4'-P-C4' energy: -81.439 flat angles P-C4'-P energy: -42.100 tors. eta vs tors. theta energy: -79.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -822.452674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.452674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.452674 (E_RNA) where: Base-Base interactions energy: -508.808 where: short stacking energy: -232.269 Base-Backbone interact. energy: 1.171 local terms energy: -314.815680 where: bonds (distance) C4'-P energy: -73.724 bonds (distance) P-C4' energy: -67.652 flat angles C4'-P-C4' energy: -69.368 flat angles P-C4'-P energy: -46.636 tors. eta vs tors. theta energy: -57.435 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: 9, replica: 2 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -599.323587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.323587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.323587 (E_RNA) where: Base-Base interactions energy: -341.074 where: short stacking energy: -160.125 Base-Backbone interact. energy: -1.162 local terms energy: -257.087385 where: bonds (distance) C4'-P energy: -59.519 bonds (distance) P-C4' energy: -64.451 flat angles C4'-P-C4' energy: -59.420 flat angles P-C4'-P energy: -42.688 tors. eta vs tors. theta energy: -31.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -448.858996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.858996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.858996 (E_RNA) where: Base-Base interactions energy: -233.902 where: short stacking energy: -149.502 Base-Backbone interact. energy: -0.343 local terms energy: -214.614186 where: bonds (distance) C4'-P energy: -57.572 bonds (distance) P-C4' energy: -66.106 flat angles C4'-P-C4' energy: -54.153 flat angles P-C4'-P energy: -31.757 tors. eta vs tors. theta energy: -5.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1458.274210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.274210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.274210 (E_RNA) where: Base-Base interactions energy: -1011.045 where: short stacking energy: -438.283 Base-Backbone interact. energy: -1.506 local terms energy: -445.723421 where: bonds (distance) C4'-P energy: -74.965 bonds (distance) P-C4' energy: -84.012 flat angles C4'-P-C4' energy: -90.484 flat angles P-C4'-P energy: -59.475 tors. eta vs tors. theta energy: -136.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1381.540310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.540310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.540310 (E_RNA) where: Base-Base interactions energy: -939.669 where: short stacking energy: -406.074 Base-Backbone interact. energy: -1.590 local terms energy: -440.281546 where: bonds (distance) C4'-P energy: -83.445 bonds (distance) P-C4' energy: -78.892 flat angles C4'-P-C4' energy: -93.923 flat angles P-C4'-P energy: -64.283 tors. eta vs tors. theta energy: -119.738 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: 5 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1286.491824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.491824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.491824 (E_RNA) where: Base-Base interactions energy: -886.088 where: short stacking energy: -372.920 Base-Backbone interact. energy: -0.801 local terms energy: -399.602946 where: bonds (distance) C4'-P energy: -66.274 bonds (distance) P-C4' energy: -76.517 flat angles C4'-P-C4' energy: -91.044 flat angles P-C4'-P energy: -63.674 tors. eta vs tors. theta energy: -102.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1220.308040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.308040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.308040 (E_RNA) where: Base-Base interactions energy: -822.652 where: short stacking energy: -364.050 Base-Backbone interact. energy: 0.140 local terms energy: -397.796195 where: bonds (distance) C4'-P energy: -74.317 bonds (distance) P-C4' energy: -81.399 flat angles C4'-P-C4' energy: -77.983 flat angles P-C4'-P energy: -57.574 tors. eta vs tors. theta energy: -106.524 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: 8 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1171.638557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.638557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.638557 (E_RNA) where: Base-Base interactions energy: -800.385 where: short stacking energy: -346.117 Base-Backbone interact. energy: -1.027 local terms energy: -370.227246 where: bonds (distance) C4'-P energy: -68.445 bonds (distance) P-C4' energy: -78.873 flat angles C4'-P-C4' energy: -79.051 flat angles P-C4'-P energy: -48.159 tors. eta vs tors. theta energy: -95.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1097.936123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.936123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.936123 (E_RNA) where: Base-Base interactions energy: -770.536 where: short stacking energy: -282.959 Base-Backbone interact. energy: -1.274 local terms energy: -326.126315 where: bonds (distance) C4'-P energy: -69.522 bonds (distance) P-C4' energy: -59.935 flat angles C4'-P-C4' energy: -71.317 flat angles P-C4'-P energy: -54.175 tors. eta vs tors. theta energy: -71.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -982.915784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.915784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.915784 (E_RNA) where: Base-Base interactions energy: -654.466 where: short stacking energy: -296.800 Base-Backbone interact. energy: 2.227 local terms energy: -330.676331 where: bonds (distance) C4'-P energy: -51.561 bonds (distance) P-C4' energy: -71.874 flat angles C4'-P-C4' energy: -70.978 flat angles P-C4'-P energy: -49.976 tors. eta vs tors. theta energy: -86.287 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: 8, replica: 7 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -856.941260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.941260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.941260 (E_RNA) where: Base-Base interactions energy: -558.168 where: short stacking energy: -243.688 Base-Backbone interact. energy: -0.263 local terms energy: -298.509425 where: bonds (distance) C4'-P energy: -52.869 bonds (distance) P-C4' energy: -72.628 flat angles C4'-P-C4' energy: -69.921 flat angles P-C4'-P energy: -46.224 tors. eta vs tors. theta energy: -56.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -622.925684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.925684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.925684 (E_RNA) where: Base-Base interactions energy: -358.435 where: short stacking energy: -183.803 Base-Backbone interact. energy: -1.744 local terms energy: -262.746410 where: bonds (distance) C4'-P energy: -68.443 bonds (distance) P-C4' energy: -62.055 flat angles C4'-P-C4' energy: -61.238 flat angles P-C4'-P energy: -48.718 tors. eta vs tors. theta energy: -22.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -436.324263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.324263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.324263 (E_RNA) where: Base-Base interactions energy: -227.129 where: short stacking energy: -132.934 Base-Backbone interact. energy: 3.659 local terms energy: -212.854993 where: bonds (distance) C4'-P energy: -52.305 bonds (distance) P-C4' energy: -58.507 flat angles C4'-P-C4' energy: -56.580 flat angles P-C4'-P energy: -30.205 tors. eta vs tors. theta energy: -15.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1434.950066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.950066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.950066 (E_RNA) where: Base-Base interactions energy: -986.426 where: short stacking energy: -443.448 Base-Backbone interact. energy: -4.324 local terms energy: -444.199763 where: bonds (distance) C4'-P energy: -69.614 bonds (distance) P-C4' energy: -86.374 flat angles C4'-P-C4' energy: -89.072 flat angles P-C4'-P energy: -62.834 tors. eta vs tors. theta energy: -136.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1346.899598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.899598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.899598 (E_RNA) where: Base-Base interactions energy: -922.671 where: short stacking energy: -408.578 Base-Backbone interact. energy: -0.147 local terms energy: -424.080924 where: bonds (distance) C4'-P energy: -75.447 bonds (distance) P-C4' energy: -71.883 flat angles C4'-P-C4' energy: -89.121 flat angles P-C4'-P energy: -71.740 tors. eta vs tors. theta energy: -115.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1299.566148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.566148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.566148 (E_RNA) where: Base-Base interactions energy: -886.179 where: short stacking energy: -386.039 Base-Backbone interact. energy: 1.226 local terms energy: -414.612838 where: bonds (distance) C4'-P energy: -71.536 bonds (distance) P-C4' energy: -76.503 flat angles C4'-P-C4' energy: -93.132 flat angles P-C4'-P energy: -60.552 tors. eta vs tors. theta energy: -112.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1263.579183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.579183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.579183 (E_RNA) where: Base-Base interactions energy: -863.990 where: short stacking energy: -363.433 Base-Backbone interact. energy: -0.926 local terms energy: -398.663178 where: bonds (distance) C4'-P energy: -74.654 bonds (distance) P-C4' energy: -67.376 flat angles C4'-P-C4' energy: -82.208 flat angles P-C4'-P energy: -63.736 tors. eta vs tors. theta energy: -110.689 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: 8 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1193.400260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.400260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.400260 (E_RNA) where: Base-Base interactions energy: -827.561 where: short stacking energy: -350.245 Base-Backbone interact. energy: -1.741 local terms energy: -364.099014 where: bonds (distance) C4'-P energy: -79.507 bonds (distance) P-C4' energy: -62.182 flat angles C4'-P-C4' energy: -66.059 flat angles P-C4'-P energy: -61.681 tors. eta vs tors. theta energy: -94.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1103.647040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.647040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.647040 (E_RNA) where: Base-Base interactions energy: -749.149 where: short stacking energy: -326.010 Base-Backbone interact. energy: -3.733 local terms energy: -350.764826 where: bonds (distance) C4'-P energy: -63.640 bonds (distance) P-C4' energy: -71.183 flat angles C4'-P-C4' energy: -79.803 flat angles P-C4'-P energy: -53.210 tors. eta vs tors. theta energy: -82.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -944.027696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.027696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.027696 (E_RNA) where: Base-Base interactions energy: -611.654 where: short stacking energy: -270.328 Base-Backbone interact. energy: -1.304 local terms energy: -331.068982 where: bonds (distance) C4'-P energy: -64.559 bonds (distance) P-C4' energy: -67.567 flat angles C4'-P-C4' energy: -80.665 flat angles P-C4'-P energy: -47.715 tors. eta vs tors. theta energy: -70.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -943.016455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.016455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.016455 (E_RNA) where: Base-Base interactions energy: -604.705 where: short stacking energy: -270.099 Base-Backbone interact. energy: -0.391 local terms energy: -337.919864 where: bonds (distance) C4'-P energy: -69.705 bonds (distance) P-C4' energy: -74.799 flat angles C4'-P-C4' energy: -80.479 flat angles P-C4'-P energy: -45.326 tors. eta vs tors. theta energy: -67.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -634.202507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.202507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.202507 (E_RNA) where: Base-Base interactions energy: -387.061 where: short stacking energy: -191.044 Base-Backbone interact. energy: -1.669 local terms energy: -245.472751 where: bonds (distance) C4'-P energy: -56.306 bonds (distance) P-C4' energy: -67.612 flat angles C4'-P-C4' energy: -64.552 flat angles P-C4'-P energy: -28.316 tors. eta vs tors. theta energy: -28.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -436.967265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.967265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.967265 (E_RNA) where: Base-Base interactions energy: -221.336 where: short stacking energy: -138.855 Base-Backbone interact. energy: 1.022 local terms energy: -216.652996 where: bonds (distance) C4'-P energy: -67.358 bonds (distance) P-C4' energy: -67.519 flat angles C4'-P-C4' energy: -43.336 flat angles P-C4'-P energy: -26.920 tors. eta vs tors. theta energy: -11.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1441.005172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.005172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.005172 (E_RNA) where: Base-Base interactions energy: -1003.621 where: short stacking energy: -445.868 Base-Backbone interact. energy: -1.689 local terms energy: -435.694901 where: bonds (distance) C4'-P energy: -66.644 bonds (distance) P-C4' energy: -83.745 flat angles C4'-P-C4' energy: -90.676 flat angles P-C4'-P energy: -62.810 tors. eta vs tors. theta energy: -131.821 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: 10 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1351.939788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.939788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.939788 (E_RNA) where: Base-Base interactions energy: -940.746 where: short stacking energy: -393.396 Base-Backbone interact. energy: -3.051 local terms energy: -408.142846 where: bonds (distance) C4'-P energy: -85.317 bonds (distance) P-C4' energy: -67.899 flat angles C4'-P-C4' energy: -83.205 flat angles P-C4'-P energy: -57.096 tors. eta vs tors. theta energy: -114.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1262.018813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.018813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.018813 (E_RNA) where: Base-Base interactions energy: -870.905 where: short stacking energy: -388.900 Base-Backbone interact. energy: -0.574 local terms energy: -390.540227 where: bonds (distance) C4'-P energy: -63.375 bonds (distance) P-C4' energy: -80.330 flat angles C4'-P-C4' energy: -90.096 flat angles P-C4'-P energy: -49.879 tors. eta vs tors. theta energy: -106.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1242.550749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.550749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.550749 (E_RNA) where: Base-Base interactions energy: -865.436 where: short stacking energy: -375.477 Base-Backbone interact. energy: 2.337 local terms energy: -379.451536 where: bonds (distance) C4'-P energy: -68.918 bonds (distance) P-C4' energy: -72.607 flat angles C4'-P-C4' energy: -77.711 flat angles P-C4'-P energy: -53.071 tors. eta vs tors. theta energy: -107.144 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: 8 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1171.817352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.817352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.817352 (E_RNA) where: Base-Base interactions energy: -814.326 where: short stacking energy: -321.634 Base-Backbone interact. energy: 0.207 local terms energy: -357.698013 where: bonds (distance) C4'-P energy: -66.712 bonds (distance) P-C4' energy: -71.954 flat angles C4'-P-C4' energy: -75.447 flat angles P-C4'-P energy: -54.761 tors. eta vs tors. theta energy: -88.823 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: 366 Temperature: 1.150000 Total energy: -1118.663424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.663424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.663424 (E_RNA) where: Base-Base interactions energy: -778.448 where: short stacking energy: -322.275 Base-Backbone interact. energy: 4.563 local terms energy: -344.779151 where: bonds (distance) C4'-P energy: -66.086 bonds (distance) P-C4' energy: -70.534 flat angles C4'-P-C4' energy: -80.681 flat angles P-C4'-P energy: -50.455 tors. eta vs tors. theta energy: -77.023 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: 7, replica: 7 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -895.126961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.126961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.126961 (E_RNA) where: Base-Base interactions energy: -571.277 where: short stacking energy: -251.630 Base-Backbone interact. energy: -1.615 local terms energy: -322.234818 where: bonds (distance) C4'-P energy: -60.613 bonds (distance) P-C4' energy: -73.849 flat angles C4'-P-C4' energy: -71.058 flat angles P-C4'-P energy: -51.407 tors. eta vs tors. theta energy: -65.309 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: 8, replica: 4 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -915.563691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.563691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.563691 (E_RNA) where: Base-Base interactions energy: -605.709 where: short stacking energy: -271.608 Base-Backbone interact. energy: -0.935 local terms energy: -308.920105 where: bonds (distance) C4'-P energy: -57.217 bonds (distance) P-C4' energy: -76.348 flat angles C4'-P-C4' energy: -75.296 flat angles P-C4'-P energy: -41.414 tors. eta vs tors. theta energy: -58.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -652.147993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.147993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.147993 (E_RNA) where: Base-Base interactions energy: -386.984 where: short stacking energy: -188.915 Base-Backbone interact. energy: -1.368 local terms energy: -263.796022 where: bonds (distance) C4'-P energy: -57.967 bonds (distance) P-C4' energy: -82.244 flat angles C4'-P-C4' energy: -63.050 flat angles P-C4'-P energy: -28.611 tors. eta vs tors. theta energy: -31.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -471.095675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.095675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.095675 (E_RNA) where: Base-Base interactions energy: -263.765 where: short stacking energy: -141.034 Base-Backbone interact. energy: -0.859 local terms energy: -206.471009 where: bonds (distance) C4'-P energy: -59.542 bonds (distance) P-C4' energy: -66.263 flat angles C4'-P-C4' energy: -48.675 flat angles P-C4'-P energy: -37.945 tors. eta vs tors. theta energy: 5.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1429.148292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.148292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.148292 (E_RNA) where: Base-Base interactions energy: -985.123 where: short stacking energy: -423.197 Base-Backbone interact. energy: -1.160 local terms energy: -442.864988 where: bonds (distance) C4'-P energy: -87.024 bonds (distance) P-C4' energy: -76.830 flat angles C4'-P-C4' energy: -91.362 flat angles P-C4'-P energy: -58.173 tors. eta vs tors. theta energy: -129.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1380.930877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.930877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.930877 (E_RNA) where: Base-Base interactions energy: -952.133 where: short stacking energy: -405.365 Base-Backbone interact. energy: 0.076 local terms energy: -428.874203 where: bonds (distance) C4'-P energy: -79.711 bonds (distance) P-C4' energy: -80.366 flat angles C4'-P-C4' energy: -88.030 flat angles P-C4'-P energy: -58.668 tors. eta vs tors. theta energy: -122.100 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: 5 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1291.005698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.005698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.005698 (E_RNA) where: Base-Base interactions energy: -875.809 where: short stacking energy: -403.135 Base-Backbone interact. energy: -1.541 local terms energy: -413.656366 where: bonds (distance) C4'-P energy: -69.568 bonds (distance) P-C4' energy: -72.779 flat angles C4'-P-C4' energy: -90.850 flat angles P-C4'-P energy: -57.047 tors. eta vs tors. theta energy: -123.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1252.909894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.909894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.909894 (E_RNA) where: Base-Base interactions energy: -877.122 where: short stacking energy: -368.514 Base-Backbone interact. energy: -0.368 local terms energy: -375.420336 where: bonds (distance) C4'-P energy: -62.067 bonds (distance) P-C4' energy: -73.423 flat angles C4'-P-C4' energy: -75.634 flat angles P-C4'-P energy: -59.945 tors. eta vs tors. theta energy: -104.351 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: 8 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1211.310585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.310585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.310585 (E_RNA) where: Base-Base interactions energy: -848.193 where: short stacking energy: -366.106 Base-Backbone interact. energy: -1.395 local terms energy: -361.722662 where: bonds (distance) C4'-P energy: -63.016 bonds (distance) P-C4' energy: -67.124 flat angles C4'-P-C4' energy: -83.934 flat angles P-C4'-P energy: -54.510 tors. eta vs tors. theta energy: -93.137 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: 367 Temperature: 1.150000 Total energy: -1124.566667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.566667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.566667 (E_RNA) where: Base-Base interactions energy: -767.810 where: short stacking energy: -322.365 Base-Backbone interact. energy: -2.209 local terms energy: -354.547063 where: bonds (distance) C4'-P energy: -71.944 bonds (distance) P-C4' energy: -66.127 flat angles C4'-P-C4' energy: -80.786 flat angles P-C4'-P energy: -50.369 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: 7 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -930.176688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.176688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.176688 (E_RNA) where: Base-Base interactions energy: -615.745 where: short stacking energy: -288.212 Base-Backbone interact. energy: 0.200 local terms energy: -314.632485 where: bonds (distance) C4'-P energy: -74.981 bonds (distance) P-C4' energy: -55.144 flat angles C4'-P-C4' energy: -73.150 flat angles P-C4'-P energy: -41.786 tors. eta vs tors. theta energy: -69.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -914.973331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.973331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.973331 (E_RNA) where: Base-Base interactions energy: -598.647 where: short stacking energy: -275.279 Base-Backbone interact. energy: 0.351 local terms energy: -316.677124 where: bonds (distance) C4'-P energy: -57.293 bonds (distance) P-C4' energy: -69.877 flat angles C4'-P-C4' energy: -83.759 flat angles P-C4'-P energy: -44.287 tors. eta vs tors. theta energy: -61.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -678.399917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.399917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.399917 (E_RNA) where: Base-Base interactions energy: -395.427 where: short stacking energy: -192.033 Base-Backbone interact. energy: 0.548 local terms energy: -283.520613 where: bonds (distance) C4'-P energy: -54.298 bonds (distance) P-C4' energy: -76.987 flat angles C4'-P-C4' energy: -78.651 flat angles P-C4'-P energy: -41.327 tors. eta vs tors. theta energy: -32.258 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: 367 Temperature: 1.350000 Total energy: -472.871594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.871594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.871594 (E_RNA) where: Base-Base interactions energy: -238.909 where: short stacking energy: -134.405 Base-Backbone interact. energy: -0.588 local terms energy: -233.374860 where: bonds (distance) C4'-P energy: -56.972 bonds (distance) P-C4' energy: -51.953 flat angles C4'-P-C4' energy: -70.665 flat angles P-C4'-P energy: -41.457 tors. eta vs tors. theta energy: -12.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1432.062010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.062010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.062010 (E_RNA) where: Base-Base interactions energy: -989.334 where: short stacking energy: -433.469 Base-Backbone interact. energy: -2.063 local terms energy: -440.665300 where: bonds (distance) C4'-P energy: -65.157 bonds (distance) P-C4' energy: -88.563 flat angles C4'-P-C4' energy: -92.483 flat angles P-C4'-P energy: -60.196 tors. eta vs tors. theta energy: -134.267 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: 10 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1360.408540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.408540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.408540 (E_RNA) where: Base-Base interactions energy: -936.996 where: short stacking energy: -389.266 Base-Backbone interact. energy: 1.204 local terms energy: -424.616101 where: bonds (distance) C4'-P energy: -82.540 bonds (distance) P-C4' energy: -69.354 flat angles C4'-P-C4' energy: -94.010 flat angles P-C4'-P energy: -58.969 tors. eta vs tors. theta energy: -119.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1304.285229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.285229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.285229 (E_RNA) where: Base-Base interactions energy: -881.346 where: short stacking energy: -378.568 Base-Backbone interact. energy: -2.054 local terms energy: -420.885391 where: bonds (distance) C4'-P energy: -81.258 bonds (distance) P-C4' energy: -71.247 flat angles C4'-P-C4' energy: -92.777 flat angles P-C4'-P energy: -60.351 tors. eta vs tors. theta energy: -115.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1224.043199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.043199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.043199 (E_RNA) where: Base-Base interactions energy: -819.140 where: short stacking energy: -353.376 Base-Backbone interact. energy: -2.699 local terms energy: -402.204394 where: bonds (distance) C4'-P energy: -77.322 bonds (distance) P-C4' energy: -83.265 flat angles C4'-P-C4' energy: -86.559 flat angles P-C4'-P energy: -59.429 tors. eta vs tors. theta energy: -95.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1213.976105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.976105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.976105 (E_RNA) where: Base-Base interactions energy: -841.607 where: short stacking energy: -359.186 Base-Backbone interact. energy: -1.290 local terms energy: -371.078826 where: bonds (distance) C4'-P energy: -71.961 bonds (distance) P-C4' energy: -73.519 flat angles C4'-P-C4' energy: -82.390 flat angles P-C4'-P energy: -48.243 tors. eta vs tors. theta energy: -94.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1143.202963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.202963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.202963 (E_RNA) where: Base-Base interactions energy: -784.541 where: short stacking energy: -329.246 Base-Backbone interact. energy: -2.042 local terms energy: -356.620238 where: bonds (distance) C4'-P energy: -68.000 bonds (distance) P-C4' energy: -68.660 flat angles C4'-P-C4' energy: -84.517 flat angles P-C4'-P energy: -50.316 tors. eta vs tors. theta energy: -85.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -925.001468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.001468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.001468 (E_RNA) where: Base-Base interactions energy: -605.196 where: short stacking energy: -282.132 Base-Backbone interact. energy: -0.593 local terms energy: -319.212554 where: bonds (distance) C4'-P energy: -64.017 bonds (distance) P-C4' energy: -69.144 flat angles C4'-P-C4' energy: -72.391 flat angles P-C4'-P energy: -43.903 tors. eta vs tors. theta energy: -69.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -858.308384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.308384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.308384 (E_RNA) where: Base-Base interactions energy: -578.875 where: short stacking energy: -239.607 Base-Backbone interact. energy: -1.877 local terms energy: -277.556307 where: bonds (distance) C4'-P energy: -66.000 bonds (distance) P-C4' energy: -59.777 flat angles C4'-P-C4' energy: -73.408 flat angles P-C4'-P energy: -25.386 tors. eta vs tors. theta energy: -52.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -696.717992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.717992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.717992 (E_RNA) where: Base-Base interactions energy: -456.714 where: short stacking energy: -208.717 Base-Backbone interact. energy: 3.768 local terms energy: -243.772206 where: bonds (distance) C4'-P energy: -54.645 bonds (distance) P-C4' energy: -75.714 flat angles C4'-P-C4' energy: -59.408 flat angles P-C4'-P energy: -17.356 tors. eta vs tors. theta energy: -36.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -477.782771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.782771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.782771 (E_RNA) where: Base-Base interactions energy: -257.513 where: short stacking energy: -151.100 Base-Backbone interact. energy: -3.088 local terms energy: -217.182331 where: bonds (distance) C4'-P energy: -55.513 bonds (distance) P-C4' energy: -67.485 flat angles C4'-P-C4' energy: -53.286 flat angles P-C4'-P energy: -35.117 tors. eta vs tors. theta energy: -5.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1441.231398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.231398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.231398 (E_RNA) where: Base-Base interactions energy: -1001.298 where: short stacking energy: -443.951 Base-Backbone interact. energy: -0.549 local terms energy: -439.383642 where: bonds (distance) C4'-P energy: -69.894 bonds (distance) P-C4' energy: -73.189 flat angles C4'-P-C4' energy: -92.755 flat angles P-C4'-P energy: -67.056 tors. eta vs tors. theta energy: -136.489 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: 5 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1305.713318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.713318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.713318 (E_RNA) where: Base-Base interactions energy: -894.954 where: short stacking energy: -378.702 Base-Backbone interact. energy: -2.555 local terms energy: -408.204578 where: bonds (distance) C4'-P energy: -75.283 bonds (distance) P-C4' energy: -78.861 flat angles C4'-P-C4' energy: -82.913 flat angles P-C4'-P energy: -61.209 tors. eta vs tors. theta energy: -109.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1323.261990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.261990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.261990 (E_RNA) where: Base-Base interactions energy: -899.589 where: short stacking energy: -406.635 Base-Backbone interact. energy: -2.362 local terms energy: -421.311382 where: bonds (distance) C4'-P energy: -75.448 bonds (distance) P-C4' energy: -75.660 flat angles C4'-P-C4' energy: -87.882 flat angles P-C4'-P energy: -63.869 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: 4, replica: 6 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1242.173697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.173697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.173697 (E_RNA) where: Base-Base interactions energy: -851.464 where: short stacking energy: -368.413 Base-Backbone interact. energy: -1.412 local terms energy: -389.297589 where: bonds (distance) C4'-P energy: -76.564 bonds (distance) P-C4' energy: -74.722 flat angles C4'-P-C4' energy: -78.511 flat angles P-C4'-P energy: -53.705 tors. eta vs tors. theta energy: -105.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1202.857199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.857199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.857199 (E_RNA) where: Base-Base interactions energy: -833.156 where: short stacking energy: -332.266 Base-Backbone interact. energy: -1.395 local terms energy: -368.306186 where: bonds (distance) C4'-P energy: -76.565 bonds (distance) P-C4' energy: -67.679 flat angles C4'-P-C4' energy: -74.451 flat angles P-C4'-P energy: -58.228 tors. eta vs tors. theta energy: -91.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1107.525262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.525262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.525262 (E_RNA) where: Base-Base interactions energy: -751.418 where: short stacking energy: -325.988 Base-Backbone interact. energy: 2.937 local terms energy: -359.044128 where: bonds (distance) C4'-P energy: -66.013 bonds (distance) P-C4' energy: -72.096 flat angles C4'-P-C4' energy: -75.768 flat angles P-C4'-P energy: -63.898 tors. eta vs tors. theta energy: -81.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -899.255400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.255400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.255400 (E_RNA) where: Base-Base interactions energy: -587.320 where: short stacking energy: -276.335 Base-Backbone interact. energy: -2.320 local terms energy: -309.615831 where: bonds (distance) C4'-P energy: -68.950 bonds (distance) P-C4' energy: -72.376 flat angles C4'-P-C4' energy: -76.915 flat angles P-C4'-P energy: -25.967 tors. eta vs tors. theta energy: -65.408 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: 7 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -900.151863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.151863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.151863 (E_RNA) where: Base-Base interactions energy: -601.455 where: short stacking energy: -253.903 Base-Backbone interact. energy: -1.912 local terms energy: -296.784610 where: bonds (distance) C4'-P energy: -63.599 bonds (distance) P-C4' energy: -73.359 flat angles C4'-P-C4' energy: -66.342 flat angles P-C4'-P energy: -34.665 tors. eta vs tors. theta energy: -58.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -750.389372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.389372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.389372 (E_RNA) where: Base-Base interactions energy: -475.647 where: short stacking energy: -215.393 Base-Backbone interact. energy: -2.299 local terms energy: -272.443543 where: bonds (distance) C4'-P energy: -71.449 bonds (distance) P-C4' energy: -66.089 flat angles C4'-P-C4' energy: -64.496 flat angles P-C4'-P energy: -33.586 tors. eta vs tors. theta energy: -36.824 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: 369 Temperature: 1.350000 Total energy: -477.190979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.190979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.190979 (E_RNA) where: Base-Base interactions energy: -248.678 where: short stacking energy: -151.883 Base-Backbone interact. energy: 1.058 local terms energy: -229.571438 where: bonds (distance) C4'-P energy: -57.053 bonds (distance) P-C4' energy: -66.114 flat angles C4'-P-C4' energy: -69.576 flat angles P-C4'-P energy: -31.098 tors. eta vs tors. theta energy: -5.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1441.812267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.812267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.812267 (E_RNA) where: Base-Base interactions energy: -988.706 where: short stacking energy: -437.080 Base-Backbone interact. energy: -1.523 local terms energy: -451.583706 where: bonds (distance) C4'-P energy: -81.938 bonds (distance) P-C4' energy: -86.279 flat angles C4'-P-C4' energy: -88.545 flat angles P-C4'-P energy: -56.761 tors. eta vs tors. theta energy: -138.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1324.153358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.153358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.153358 (E_RNA) where: Base-Base interactions energy: -914.899 where: short stacking energy: -392.775 Base-Backbone interact. energy: -2.818 local terms energy: -406.436229 where: bonds (distance) C4'-P energy: -76.384 bonds (distance) P-C4' energy: -72.615 flat angles C4'-P-C4' energy: -80.581 flat angles P-C4'-P energy: -57.470 tors. eta vs tors. theta energy: -119.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1324.717859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.717859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.717859 (E_RNA) where: Base-Base interactions energy: -906.077 where: short stacking energy: -391.957 Base-Backbone interact. energy: 1.281 local terms energy: -419.921445 where: bonds (distance) C4'-P energy: -69.490 bonds (distance) P-C4' energy: -79.064 flat angles C4'-P-C4' energy: -84.453 flat angles P-C4'-P energy: -65.496 tors. eta vs tors. theta energy: -121.419 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: 6 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1244.017742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.017742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.017742 (E_RNA) where: Base-Base interactions energy: -865.560 where: short stacking energy: -379.581 Base-Backbone interact. energy: -1.763 local terms energy: -376.694346 where: bonds (distance) C4'-P energy: -66.213 bonds (distance) P-C4' energy: -62.063 flat angles C4'-P-C4' energy: -80.241 flat angles P-C4'-P energy: -58.850 tors. eta vs tors. theta energy: -109.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1157.802368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.802368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.802368 (E_RNA) where: Base-Base interactions energy: -783.520 where: short stacking energy: -329.276 Base-Backbone interact. energy: -2.249 local terms energy: -372.033096 where: bonds (distance) C4'-P energy: -75.020 bonds (distance) P-C4' energy: -74.463 flat angles C4'-P-C4' energy: -84.175 flat angles P-C4'-P energy: -46.841 tors. eta vs tors. theta energy: -91.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1107.139704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.139704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.139704 (E_RNA) where: Base-Base interactions energy: -769.422 where: short stacking energy: -335.175 Base-Backbone interact. energy: -1.829 local terms energy: -335.888857 where: bonds (distance) C4'-P energy: -60.443 bonds (distance) P-C4' energy: -63.273 flat angles C4'-P-C4' energy: -77.298 flat angles P-C4'-P energy: -42.992 tors. eta vs tors. theta energy: -91.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -915.676656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.676656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.676656 (E_RNA) where: Base-Base interactions energy: -593.185 where: short stacking energy: -266.816 Base-Backbone interact. energy: 0.666 local terms energy: -323.157635 where: bonds (distance) C4'-P energy: -62.890 bonds (distance) P-C4' energy: -79.669 flat angles C4'-P-C4' energy: -78.672 flat angles P-C4'-P energy: -36.898 tors. eta vs tors. theta energy: -65.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -921.616653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.616653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.616653 (E_RNA) where: Base-Base interactions energy: -598.416 where: short stacking energy: -253.766 Base-Backbone interact. energy: -1.401 local terms energy: -321.800501 where: bonds (distance) C4'-P energy: -81.189 bonds (distance) P-C4' energy: -72.684 flat angles C4'-P-C4' energy: -63.644 flat angles P-C4'-P energy: -45.291 tors. eta vs tors. theta energy: -58.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -691.390312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.390312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.390312 (E_RNA) where: Base-Base interactions energy: -429.430 where: short stacking energy: -194.051 Base-Backbone interact. energy: -1.109 local terms energy: -260.850974 where: bonds (distance) C4'-P energy: -48.876 bonds (distance) P-C4' energy: -59.933 flat angles C4'-P-C4' energy: -68.870 flat angles P-C4'-P energy: -45.080 tors. eta vs tors. theta energy: -38.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -470.972400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.972400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.972400 (E_RNA) where: Base-Base interactions energy: -273.849 where: short stacking energy: -136.090 Base-Backbone interact. energy: 2.642 local terms energy: -199.765799 where: bonds (distance) C4'-P energy: -43.523 bonds (distance) P-C4' energy: -72.581 flat angles C4'-P-C4' energy: -44.375 flat angles P-C4'-P energy: -32.320 tors. eta vs tors. theta energy: -6.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1431.945028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.945028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.945028 (E_RNA) where: Base-Base interactions energy: -978.342 where: short stacking energy: -425.646 Base-Backbone interact. energy: -2.044 local terms energy: -451.559123 where: bonds (distance) C4'-P energy: -82.012 bonds (distance) P-C4' energy: -80.189 flat angles C4'-P-C4' energy: -96.182 flat angles P-C4'-P energy: -59.503 tors. eta vs tors. theta energy: -133.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1345.203503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.203503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.203503 (E_RNA) where: Base-Base interactions energy: -934.424 where: short stacking energy: -390.610 Base-Backbone interact. energy: -1.866 local terms energy: -408.913397 where: bonds (distance) C4'-P energy: -76.273 bonds (distance) P-C4' energy: -80.951 flat angles C4'-P-C4' energy: -82.633 flat angles P-C4'-P energy: -62.829 tors. eta vs tors. theta energy: -106.227 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: 371 Temperature: 1.000000 Total energy: -1302.462991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.462991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.462991 (E_RNA) where: Base-Base interactions energy: -918.436 where: short stacking energy: -381.156 Base-Backbone interact. energy: -1.348 local terms energy: -382.679231 where: bonds (distance) C4'-P energy: -73.825 bonds (distance) P-C4' energy: -74.493 flat angles C4'-P-C4' energy: -75.532 flat angles P-C4'-P energy: -53.703 tors. eta vs tors. theta energy: -105.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1260.695108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.695108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.695108 (E_RNA) where: Base-Base interactions energy: -870.591 where: short stacking energy: -375.484 Base-Backbone interact. energy: -0.730 local terms energy: -389.373856 where: bonds (distance) C4'-P energy: -67.777 bonds (distance) P-C4' energy: -76.548 flat angles C4'-P-C4' energy: -85.507 flat angles P-C4'-P energy: -51.595 tors. eta vs tors. theta energy: -107.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1151.526008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.526008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.526008 (E_RNA) where: Base-Base interactions energy: -804.247 where: short stacking energy: -356.955 Base-Backbone interact. energy: -1.756 local terms energy: -345.522474 where: bonds (distance) C4'-P energy: -56.998 bonds (distance) P-C4' energy: -60.778 flat angles C4'-P-C4' energy: -76.547 flat angles P-C4'-P energy: -54.899 tors. eta vs tors. theta energy: -96.300 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: 3 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1176.273582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.273582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.273582 (E_RNA) where: Base-Base interactions energy: -806.933 where: short stacking energy: -352.004 Base-Backbone interact. energy: -1.933 local terms energy: -367.407795 where: bonds (distance) C4'-P energy: -66.770 bonds (distance) P-C4' energy: -72.851 flat angles C4'-P-C4' energy: -73.544 flat angles P-C4'-P energy: -49.867 tors. eta vs tors. theta energy: -104.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -950.533535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.533535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.533535 (E_RNA) where: Base-Base interactions energy: -631.971 where: short stacking energy: -296.615 Base-Backbone interact. energy: 2.095 local terms energy: -320.657502 where: bonds (distance) C4'-P energy: -54.529 bonds (distance) P-C4' energy: -78.595 flat angles C4'-P-C4' energy: -67.548 flat angles P-C4'-P energy: -44.968 tors. eta vs tors. theta energy: -75.018 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: 7 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -866.511796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.511796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.511796 (E_RNA) where: Base-Base interactions energy: -563.049 where: short stacking energy: -243.563 Base-Backbone interact. energy: -0.072 local terms energy: -303.390647 where: bonds (distance) C4'-P energy: -65.660 bonds (distance) P-C4' energy: -73.520 flat angles C4'-P-C4' energy: -72.532 flat angles P-C4'-P energy: -44.952 tors. eta vs tors. theta energy: -46.727 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: 9, replica: 2 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -682.966868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.966868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.966868 (E_RNA) where: Base-Base interactions energy: -417.428 where: short stacking energy: -206.271 Base-Backbone interact. energy: 6.812 local terms energy: -272.350965 where: bonds (distance) C4'-P energy: -61.307 bonds (distance) P-C4' energy: -72.873 flat angles C4'-P-C4' energy: -57.273 flat angles P-C4'-P energy: -47.220 tors. eta vs tors. theta energy: -33.678 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: 10, replica: 1 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -453.254528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.254528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.254528 (E_RNA) where: Base-Base interactions energy: -231.993 where: short stacking energy: -123.112 Base-Backbone interact. energy: -1.153 local terms energy: -220.108676 where: bonds (distance) C4'-P energy: -67.277 bonds (distance) P-C4' energy: -69.003 flat angles C4'-P-C4' energy: -56.594 flat angles P-C4'-P energy: -31.029 tors. eta vs tors. theta energy: 3.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1421.599429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.599429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.599429 (E_RNA) where: Base-Base interactions energy: -995.268 where: short stacking energy: -427.961 Base-Backbone interact. energy: -1.282 local terms energy: -425.050044 where: bonds (distance) C4'-P energy: -70.983 bonds (distance) P-C4' energy: -77.491 flat angles C4'-P-C4' energy: -86.865 flat angles P-C4'-P energy: -59.591 tors. eta vs tors. theta energy: -130.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1350.110746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.110746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.110746 (E_RNA) where: Base-Base interactions energy: -946.396 where: short stacking energy: -397.795 Base-Backbone interact. energy: -1.106 local terms energy: -402.609167 where: bonds (distance) C4'-P energy: -62.490 bonds (distance) P-C4' energy: -76.738 flat angles C4'-P-C4' energy: -93.253 flat angles P-C4'-P energy: -56.776 tors. eta vs tors. theta energy: -113.353 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: 3, replica: 6 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1268.754190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.754190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.754190 (E_RNA) where: Base-Base interactions energy: -854.434 where: short stacking energy: -381.074 Base-Backbone interact. energy: -2.921 local terms energy: -411.399063 where: bonds (distance) C4'-P energy: -59.084 bonds (distance) P-C4' energy: -83.448 flat angles C4'-P-C4' energy: -91.500 flat angles P-C4'-P energy: -65.449 tors. eta vs tors. theta energy: -111.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1245.415707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.415707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.415707 (E_RNA) where: Base-Base interactions energy: -874.023 where: short stacking energy: -369.660 Base-Backbone interact. energy: -1.940 local terms energy: -369.451944 where: bonds (distance) C4'-P energy: -65.812 bonds (distance) P-C4' energy: -55.583 flat angles C4'-P-C4' energy: -83.214 flat angles P-C4'-P energy: -53.831 tors. eta vs tors. theta energy: -111.013 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: 5, replica: 3 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1175.612145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.612145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.612145 (E_RNA) where: Base-Base interactions energy: -814.854 where: short stacking energy: -347.804 Base-Backbone interact. energy: -1.517 local terms energy: -359.241438 where: bonds (distance) C4'-P energy: -65.740 bonds (distance) P-C4' energy: -77.451 flat angles C4'-P-C4' energy: -74.577 flat angles P-C4'-P energy: -51.404 tors. eta vs tors. theta energy: -90.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1135.364727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.364727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.364727 (E_RNA) where: Base-Base interactions energy: -788.527 where: short stacking energy: -328.641 Base-Backbone interact. energy: -1.118 local terms energy: -345.719296 where: bonds (distance) C4'-P energy: -67.348 bonds (distance) P-C4' energy: -82.066 flat angles C4'-P-C4' energy: -59.057 flat angles P-C4'-P energy: -42.039 tors. eta vs tors. theta energy: -95.210 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: 4 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -950.642784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.642784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.642784 (E_RNA) where: Base-Base interactions energy: -608.274 where: short stacking energy: -277.556 Base-Backbone interact. energy: 0.637 local terms energy: -343.005883 where: bonds (distance) C4'-P energy: -61.804 bonds (distance) P-C4' energy: -75.197 flat angles C4'-P-C4' energy: -74.440 flat angles P-C4'-P energy: -57.438 tors. eta vs tors. theta energy: -74.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -884.954253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.954253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.954253 (E_RNA) where: Base-Base interactions energy: -561.536 where: short stacking energy: -269.971 Base-Backbone interact. energy: 1.175 local terms energy: -324.592804 where: bonds (distance) C4'-P energy: -64.912 bonds (distance) P-C4' energy: -69.815 flat angles C4'-P-C4' energy: -81.666 flat angles P-C4'-P energy: -41.673 tors. eta vs tors. theta energy: -66.527 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: 2 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -682.357467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.357467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.357467 (E_RNA) where: Base-Base interactions energy: -406.114 where: short stacking energy: -194.457 Base-Backbone interact. energy: -1.151 local terms energy: -275.093244 where: bonds (distance) C4'-P energy: -70.737 bonds (distance) P-C4' energy: -63.465 flat angles C4'-P-C4' energy: -64.349 flat angles P-C4'-P energy: -43.208 tors. eta vs tors. theta energy: -33.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -466.258172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.258172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.258172 (E_RNA) where: Base-Base interactions energy: -237.252 where: short stacking energy: -141.305 Base-Backbone interact. energy: -1.196 local terms energy: -227.809433 where: bonds (distance) C4'-P energy: -61.512 bonds (distance) P-C4' energy: -67.663 flat angles C4'-P-C4' energy: -55.277 flat angles P-C4'-P energy: -40.076 tors. eta vs tors. theta energy: -3.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1416.504307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.504307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.504307 (E_RNA) where: Base-Base interactions energy: -988.125 where: short stacking energy: -440.644 Base-Backbone interact. energy: 0.011 local terms energy: -428.389471 where: bonds (distance) C4'-P energy: -74.794 bonds (distance) P-C4' energy: -65.121 flat angles C4'-P-C4' energy: -92.614 flat angles P-C4'-P energy: -68.959 tors. eta vs tors. theta energy: -126.902 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: 373 Temperature: 0.950000 Total energy: -1340.294624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.294624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.294624 (E_RNA) where: Base-Base interactions energy: -933.856 where: short stacking energy: -370.287 Base-Backbone interact. energy: -1.326 local terms energy: -405.112936 where: bonds (distance) C4'-P energy: -72.575 bonds (distance) P-C4' energy: -77.195 flat angles C4'-P-C4' energy: -81.238 flat angles P-C4'-P energy: -64.245 tors. eta vs tors. theta energy: -109.860 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: 6 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1260.390339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.390339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.390339 (E_RNA) where: Base-Base interactions energy: -860.010 where: short stacking energy: -391.951 Base-Backbone interact. energy: -1.371 local terms energy: -399.009165 where: bonds (distance) C4'-P energy: -73.464 bonds (distance) P-C4' energy: -64.348 flat angles C4'-P-C4' energy: -89.750 flat angles P-C4'-P energy: -62.782 tors. eta vs tors. theta energy: -108.666 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: 5 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1212.278620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.278620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.278620 (E_RNA) where: Base-Base interactions energy: -842.304 where: short stacking energy: -356.278 Base-Backbone interact. energy: -1.332 local terms energy: -368.642537 where: bonds (distance) C4'-P energy: -70.771 bonds (distance) P-C4' energy: -69.783 flat angles C4'-P-C4' energy: -80.074 flat angles P-C4'-P energy: -52.204 tors. eta vs tors. theta energy: -95.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1168.455886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.455886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.455886 (E_RNA) where: Base-Base interactions energy: -811.110 where: short stacking energy: -349.987 Base-Backbone interact. energy: -2.467 local terms energy: -354.879005 where: bonds (distance) C4'-P energy: -63.648 bonds (distance) P-C4' energy: -70.704 flat angles C4'-P-C4' energy: -80.412 flat angles P-C4'-P energy: -46.756 tors. eta vs tors. theta energy: -93.359 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: 8 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1123.689901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.689901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.689901 (E_RNA) where: Base-Base interactions energy: -802.722 where: short stacking energy: -331.251 Base-Backbone interact. energy: -2.464 local terms energy: -318.504665 where: bonds (distance) C4'-P energy: -60.799 bonds (distance) P-C4' energy: -70.981 flat angles C4'-P-C4' energy: -65.741 flat angles P-C4'-P energy: -42.313 tors. eta vs tors. theta energy: -78.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -960.654681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.654681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.654681 (E_RNA) where: Base-Base interactions energy: -641.235 where: short stacking energy: -285.562 Base-Backbone interact. energy: -1.776 local terms energy: -317.643932 where: bonds (distance) C4'-P energy: -66.139 bonds (distance) P-C4' energy: -60.955 flat angles C4'-P-C4' energy: -68.511 flat angles P-C4'-P energy: -50.276 tors. eta vs tors. theta energy: -71.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -807.864161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.864161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.864161 (E_RNA) where: Base-Base interactions energy: -538.389 where: short stacking energy: -237.782 Base-Backbone interact. energy: -1.467 local terms energy: -268.007863 where: bonds (distance) C4'-P energy: -55.261 bonds (distance) P-C4' energy: -71.314 flat angles C4'-P-C4' energy: -57.514 flat angles P-C4'-P energy: -34.373 tors. eta vs tors. theta energy: -49.546 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: 2 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -700.219893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.219893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.219893 (E_RNA) where: Base-Base interactions energy: -438.639 where: short stacking energy: -210.191 Base-Backbone interact. energy: -1.802 local terms energy: -259.778637 where: bonds (distance) C4'-P energy: -48.465 bonds (distance) P-C4' energy: -67.746 flat angles C4'-P-C4' energy: -66.883 flat angles P-C4'-P energy: -34.212 tors. eta vs tors. theta energy: -42.472 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: 10, replica: 1 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -500.941488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.941488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.941488 (E_RNA) where: Base-Base interactions energy: -255.798 where: short stacking energy: -164.042 Base-Backbone interact. energy: -1.755 local terms energy: -243.388321 where: bonds (distance) C4'-P energy: -59.403 bonds (distance) P-C4' energy: -68.567 flat angles C4'-P-C4' energy: -63.919 flat angles P-C4'-P energy: -28.614 tors. eta vs tors. theta energy: -22.886 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: 9 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1443.741725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.741725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.741725 (E_RNA) where: Base-Base interactions energy: -993.205 where: short stacking energy: -425.060 Base-Backbone interact. energy: -1.710 local terms energy: -448.826402 where: bonds (distance) C4'-P energy: -77.912 bonds (distance) P-C4' energy: -84.036 flat angles C4'-P-C4' energy: -94.275 flat angles P-C4'-P energy: -61.532 tors. eta vs tors. theta energy: -131.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1360.876593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.876593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.876593 (E_RNA) where: Base-Base interactions energy: -956.519 where: short stacking energy: -386.116 Base-Backbone interact. energy: -0.437 local terms energy: -403.920572 where: bonds (distance) C4'-P energy: -70.613 bonds (distance) P-C4' energy: -79.882 flat angles C4'-P-C4' energy: -88.872 flat angles P-C4'-P energy: -49.906 tors. eta vs tors. theta energy: -114.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1299.208912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.208912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.208912 (E_RNA) where: Base-Base interactions energy: -878.390 where: short stacking energy: -387.486 Base-Backbone interact. energy: -1.519 local terms energy: -419.300074 where: bonds (distance) C4'-P energy: -68.984 bonds (distance) P-C4' energy: -78.725 flat angles C4'-P-C4' energy: -94.825 flat angles P-C4'-P energy: -67.628 tors. eta vs tors. theta energy: -109.137 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: 6 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1249.443090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.443090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.443090 (E_RNA) where: Base-Base interactions energy: -868.153 where: short stacking energy: -391.630 Base-Backbone interact. energy: -0.668 local terms energy: -380.622296 where: bonds (distance) C4'-P energy: -77.076 bonds (distance) P-C4' energy: -66.735 flat angles C4'-P-C4' energy: -66.049 flat angles P-C4'-P energy: -60.998 tors. eta vs tors. theta energy: -109.764 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: 3 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1157.464481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.464481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.464481 (E_RNA) where: Base-Base interactions energy: -802.968 where: short stacking energy: -343.595 Base-Backbone interact. energy: 2.514 local terms energy: -357.010544 where: bonds (distance) C4'-P energy: -78.044 bonds (distance) P-C4' energy: -63.550 flat angles C4'-P-C4' energy: -86.835 flat angles P-C4'-P energy: -46.804 tors. eta vs tors. theta energy: -81.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1077.744735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.744735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.744735 (E_RNA) where: Base-Base interactions energy: -740.358 where: short stacking energy: -314.128 Base-Backbone interact. energy: 1.358 local terms energy: -338.744519 where: bonds (distance) C4'-P energy: -63.236 bonds (distance) P-C4' energy: -67.195 flat angles C4'-P-C4' energy: -73.158 flat angles P-C4'-P energy: -46.530 tors. eta vs tors. theta energy: -88.625 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: 4 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -963.174119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.174119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.174119 (E_RNA) where: Base-Base interactions energy: -626.379 where: short stacking energy: -301.406 Base-Backbone interact. energy: 3.947 local terms energy: -340.742880 where: bonds (distance) C4'-P energy: -68.138 bonds (distance) P-C4' energy: -67.091 flat angles C4'-P-C4' energy: -74.692 flat angles P-C4'-P energy: -57.842 tors. eta vs tors. theta energy: -72.979 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: 7 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -803.249975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.249975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.249975 (E_RNA) where: Base-Base interactions energy: -514.805 where: short stacking energy: -237.241 Base-Backbone interact. energy: 6.243 local terms energy: -294.687608 where: bonds (distance) C4'-P energy: -55.589 bonds (distance) P-C4' energy: -83.041 flat angles C4'-P-C4' energy: -69.499 flat angles P-C4'-P energy: -40.847 tors. eta vs tors. theta energy: -45.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -706.340659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.340659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.340659 (E_RNA) where: Base-Base interactions energy: -437.543 where: short stacking energy: -222.739 Base-Backbone interact. energy: 1.084 local terms energy: -269.881572 where: bonds (distance) C4'-P energy: -70.896 bonds (distance) P-C4' energy: -64.608 flat angles C4'-P-C4' energy: -64.398 flat angles P-C4'-P energy: -32.381 tors. eta vs tors. theta energy: -37.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -484.834645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.834645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.834645 (E_RNA) where: Base-Base interactions energy: -244.315 where: short stacking energy: -138.026 Base-Backbone interact. energy: 1.796 local terms energy: -242.316492 where: bonds (distance) C4'-P energy: -59.348 bonds (distance) P-C4' energy: -74.346 flat angles C4'-P-C4' energy: -44.894 flat angles P-C4'-P energy: -52.433 tors. eta vs tors. theta energy: -11.297 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: 9 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1447.146753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.146753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.146753 (E_RNA) where: Base-Base interactions energy: -994.479 where: short stacking energy: -424.712 Base-Backbone interact. energy: -0.992 local terms energy: -451.675105 where: bonds (distance) C4'-P energy: -80.941 bonds (distance) P-C4' energy: -87.646 flat angles C4'-P-C4' energy: -86.734 flat angles P-C4'-P energy: -70.527 tors. eta vs tors. theta energy: -125.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1357.050061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.050061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.050061 (E_RNA) where: Base-Base interactions energy: -947.735 where: short stacking energy: -395.714 Base-Backbone interact. energy: 1.214 local terms energy: -410.529315 where: bonds (distance) C4'-P energy: -74.275 bonds (distance) P-C4' energy: -72.895 flat angles C4'-P-C4' energy: -87.472 flat angles P-C4'-P energy: -65.908 tors. eta vs tors. theta energy: -109.979 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: 5 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1290.518177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.518177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.518177 (E_RNA) where: Base-Base interactions energy: -889.772 where: short stacking energy: -388.589 Base-Backbone interact. energy: -0.175 local terms energy: -400.570774 where: bonds (distance) C4'-P energy: -73.212 bonds (distance) P-C4' energy: -81.001 flat angles C4'-P-C4' energy: -83.471 flat angles P-C4'-P energy: -49.259 tors. eta vs tors. theta energy: -113.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1239.370167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.370167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.370167 (E_RNA) where: Base-Base interactions energy: -845.413 where: short stacking energy: -383.876 Base-Backbone interact. energy: -0.864 local terms energy: -393.093369 where: bonds (distance) C4'-P energy: -77.671 bonds (distance) P-C4' energy: -65.633 flat angles C4'-P-C4' energy: -89.199 flat angles P-C4'-P energy: -51.833 tors. eta vs tors. theta energy: -108.758 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: 3 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1192.187386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.187386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.187386 (E_RNA) where: Base-Base interactions energy: -833.238 where: short stacking energy: -334.115 Base-Backbone interact. energy: -2.261 local terms energy: -356.688282 where: bonds (distance) C4'-P energy: -74.585 bonds (distance) P-C4' energy: -75.274 flat angles C4'-P-C4' energy: -70.861 flat angles P-C4'-P energy: -53.976 tors. eta vs tors. theta energy: -81.992 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: 6, replica: 8 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1048.579696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.579696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.579696 (E_RNA) where: Base-Base interactions energy: -724.596 where: short stacking energy: -292.925 Base-Backbone interact. energy: -0.352 local terms energy: -323.632049 where: bonds (distance) C4'-P energy: -65.672 bonds (distance) P-C4' energy: -71.150 flat angles C4'-P-C4' energy: -75.249 flat angles P-C4'-P energy: -50.791 tors. eta vs tors. theta energy: -60.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -899.575613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.575613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.575613 (E_RNA) where: Base-Base interactions energy: -592.774 where: short stacking energy: -277.536 Base-Backbone interact. energy: -2.862 local terms energy: -303.939714 where: bonds (distance) C4'-P energy: -59.334 bonds (distance) P-C4' energy: -66.415 flat angles C4'-P-C4' energy: -61.242 flat angles P-C4'-P energy: -44.220 tors. eta vs tors. theta energy: -72.729 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: 8, replica: 2 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -732.505543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.505543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.505543 (E_RNA) where: Base-Base interactions energy: -454.260 where: short stacking energy: -206.651 Base-Backbone interact. energy: -0.952 local terms energy: -277.293175 where: bonds (distance) C4'-P energy: -61.270 bonds (distance) P-C4' energy: -67.212 flat angles C4'-P-C4' energy: -66.951 flat angles P-C4'-P energy: -47.117 tors. eta vs tors. theta energy: -34.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -807.214327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.214327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.214327 (E_RNA) where: Base-Base interactions energy: -524.625 where: short stacking energy: -242.451 Base-Backbone interact. energy: -0.805 local terms energy: -281.784749 where: bonds (distance) C4'-P energy: -71.230 bonds (distance) P-C4' energy: -64.617 flat angles C4'-P-C4' energy: -58.778 flat angles P-C4'-P energy: -34.934 tors. eta vs tors. theta energy: -52.225 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: 1 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -489.366690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.366690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.366690 (E_RNA) where: Base-Base interactions energy: -256.147 where: short stacking energy: -134.544 Base-Backbone interact. energy: -2.320 local terms energy: -230.899765 where: bonds (distance) C4'-P energy: -66.669 bonds (distance) P-C4' energy: -73.768 flat angles C4'-P-C4' energy: -59.384 flat angles P-C4'-P energy: -44.438 tors. eta vs tors. theta energy: 13.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1444.926697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.926697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.926697 (E_RNA) where: Base-Base interactions energy: -1007.246 where: short stacking energy: -439.000 Base-Backbone interact. energy: -2.012 local terms energy: -435.668617 where: bonds (distance) C4'-P energy: -73.390 bonds (distance) P-C4' energy: -76.052 flat angles C4'-P-C4' energy: -92.057 flat angles P-C4'-P energy: -66.198 tors. eta vs tors. theta energy: -127.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1334.906543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.906543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.906543 (E_RNA) where: Base-Base interactions energy: -914.203 where: short stacking energy: -403.864 Base-Backbone interact. energy: -1.177 local terms energy: -419.526233 where: bonds (distance) C4'-P energy: -77.625 bonds (distance) P-C4' energy: -76.430 flat angles C4'-P-C4' energy: -86.890 flat angles P-C4'-P energy: -65.238 tors. eta vs tors. theta energy: -113.343 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: 5 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1299.171615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.171615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.171615 (E_RNA) where: Base-Base interactions energy: -914.190 where: short stacking energy: -370.092 Base-Backbone interact. energy: -2.023 local terms energy: -382.959066 where: bonds (distance) C4'-P energy: -67.221 bonds (distance) P-C4' energy: -66.573 flat angles C4'-P-C4' energy: -76.151 flat angles P-C4'-P energy: -67.200 tors. eta vs tors. theta energy: -105.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1213.681773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.681773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.681773 (E_RNA) where: Base-Base interactions energy: -832.112 where: short stacking energy: -354.746 Base-Backbone interact. energy: -1.147 local terms energy: -380.422771 where: bonds (distance) C4'-P energy: -54.948 bonds (distance) P-C4' energy: -79.295 flat angles C4'-P-C4' energy: -85.197 flat angles P-C4'-P energy: -58.692 tors. eta vs tors. theta energy: -102.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1191.684209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.684209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.684209 (E_RNA) where: Base-Base interactions energy: -841.722 where: short stacking energy: -338.672 Base-Backbone interact. energy: -0.709 local terms energy: -349.253324 where: bonds (distance) C4'-P energy: -67.251 bonds (distance) P-C4' energy: -73.589 flat angles C4'-P-C4' energy: -81.454 flat angles P-C4'-P energy: -42.733 tors. eta vs tors. theta energy: -84.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1111.905119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.905119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.905119 (E_RNA) where: Base-Base interactions energy: -771.328 where: short stacking energy: -289.075 Base-Backbone interact. energy: 0.210 local terms energy: -340.787708 where: bonds (distance) C4'-P energy: -61.554 bonds (distance) P-C4' energy: -66.670 flat angles C4'-P-C4' energy: -83.920 flat angles P-C4'-P energy: -49.184 tors. eta vs tors. theta energy: -79.460 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: 4 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -942.042396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.042396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.042396 (E_RNA) where: Base-Base interactions energy: -624.046 where: short stacking energy: -296.951 Base-Backbone interact. energy: -0.488 local terms energy: -317.509150 where: bonds (distance) C4'-P energy: -73.652 bonds (distance) P-C4' energy: -64.017 flat angles C4'-P-C4' energy: -67.061 flat angles P-C4'-P energy: -43.623 tors. eta vs tors. theta energy: -69.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -716.191744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.191744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.191744 (E_RNA) where: Base-Base interactions energy: -434.875 where: short stacking energy: -206.621 Base-Backbone interact. energy: 0.898 local terms energy: -282.214369 where: bonds (distance) C4'-P energy: -66.105 bonds (distance) P-C4' energy: -63.369 flat angles C4'-P-C4' energy: -63.807 flat angles P-C4'-P energy: -38.776 tors. eta vs tors. theta energy: -50.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -760.406738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.406738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.406738 (E_RNA) where: Base-Base interactions energy: -478.105 where: short stacking energy: -209.737 Base-Backbone interact. energy: -1.785 local terms energy: -280.516885 where: bonds (distance) C4'-P energy: -60.800 bonds (distance) P-C4' energy: -69.693 flat angles C4'-P-C4' energy: -69.593 flat angles P-C4'-P energy: -47.584 tors. eta vs tors. theta energy: -32.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -462.320464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.320464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.320464 (E_RNA) where: Base-Base interactions energy: -261.005 where: short stacking energy: -122.190 Base-Backbone interact. energy: 5.481 local terms energy: -206.795996 where: bonds (distance) C4'-P energy: -63.566 bonds (distance) P-C4' energy: -57.319 flat angles C4'-P-C4' energy: -56.811 flat angles P-C4'-P energy: -29.168 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: 1, replica: 9 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1426.276561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.276561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.276561 (E_RNA) where: Base-Base interactions energy: -999.388 where: short stacking energy: -434.474 Base-Backbone interact. energy: -1.434 local terms energy: -425.454031 where: bonds (distance) C4'-P energy: -75.964 bonds (distance) P-C4' energy: -73.379 flat angles C4'-P-C4' energy: -90.443 flat angles P-C4'-P energy: -62.602 tors. eta vs tors. theta energy: -123.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1337.746622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.746622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.746622 (E_RNA) where: Base-Base interactions energy: -928.598 where: short stacking energy: -377.660 Base-Backbone interact. energy: -0.829 local terms energy: -408.319724 where: bonds (distance) C4'-P energy: -83.857 bonds (distance) P-C4' energy: -74.441 flat angles C4'-P-C4' energy: -88.485 flat angles P-C4'-P energy: -50.377 tors. eta vs tors. theta energy: -111.159 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: 377 Temperature: 1.000000 Total energy: -1292.077335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.077335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.077335 (E_RNA) where: Base-Base interactions energy: -875.332 where: short stacking energy: -391.500 Base-Backbone interact. energy: -4.136 local terms energy: -412.609044 where: bonds (distance) C4'-P energy: -61.201 bonds (distance) P-C4' energy: -79.393 flat angles C4'-P-C4' energy: -90.671 flat angles P-C4'-P energy: -69.541 tors. eta vs tors. theta energy: -111.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1195.877336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.877336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.877336 (E_RNA) where: Base-Base interactions energy: -822.454 where: short stacking energy: -368.579 Base-Backbone interact. energy: -0.824 local terms energy: -372.599669 where: bonds (distance) C4'-P energy: -61.171 bonds (distance) P-C4' energy: -69.340 flat angles C4'-P-C4' energy: -78.953 flat angles P-C4'-P energy: -60.777 tors. eta vs tors. theta energy: -102.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1166.794149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.794149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.794149 (E_RNA) where: Base-Base interactions energy: -806.789 where: short stacking energy: -328.151 Base-Backbone interact. energy: 0.760 local terms energy: -360.765931 where: bonds (distance) C4'-P energy: -66.889 bonds (distance) P-C4' energy: -71.542 flat angles C4'-P-C4' energy: -79.413 flat angles P-C4'-P energy: -53.786 tors. eta vs tors. theta energy: -89.136 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: 6, replica: 8 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1112.322684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.322684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.322684 (E_RNA) where: Base-Base interactions energy: -778.400 where: short stacking energy: -304.023 Base-Backbone interact. energy: 1.211 local terms energy: -335.133827 where: bonds (distance) C4'-P energy: -64.312 bonds (distance) P-C4' energy: -68.299 flat angles C4'-P-C4' energy: -76.566 flat angles P-C4'-P energy: -42.134 tors. eta vs tors. theta energy: -83.823 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: 4 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -943.430780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.430780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.430780 (E_RNA) where: Base-Base interactions energy: -624.916 where: short stacking energy: -307.322 Base-Backbone interact. energy: -1.038 local terms energy: -317.476891 where: bonds (distance) C4'-P energy: -64.925 bonds (distance) P-C4' energy: -75.269 flat angles C4'-P-C4' energy: -67.938 flat angles P-C4'-P energy: -42.357 tors. eta vs tors. theta energy: -66.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -809.274003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.274003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.274003 (E_RNA) where: Base-Base interactions energy: -512.007 where: short stacking energy: -241.679 Base-Backbone interact. energy: 1.490 local terms energy: -298.757146 where: bonds (distance) C4'-P energy: -68.182 bonds (distance) P-C4' energy: -65.972 flat angles C4'-P-C4' energy: -67.847 flat angles P-C4'-P energy: -32.815 tors. eta vs tors. theta energy: -63.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -713.398522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.398522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.398522 (E_RNA) where: Base-Base interactions energy: -422.999 where: short stacking energy: -205.347 Base-Backbone interact. energy: -1.123 local terms energy: -289.276331 where: bonds (distance) C4'-P energy: -62.358 bonds (distance) P-C4' energy: -78.628 flat angles C4'-P-C4' energy: -64.368 flat angles P-C4'-P energy: -49.762 tors. eta vs tors. theta energy: -34.161 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: 1 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -465.836435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.836435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.836435 (E_RNA) where: Base-Base interactions energy: -222.128 where: short stacking energy: -132.245 Base-Backbone interact. energy: 0.273 local terms energy: -243.981656 where: bonds (distance) C4'-P energy: -70.025 bonds (distance) P-C4' energy: -69.670 flat angles C4'-P-C4' energy: -61.443 flat angles P-C4'-P energy: -45.780 tors. eta vs tors. theta energy: 2.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1445.080612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.080612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.080612 (E_RNA) where: Base-Base interactions energy: -996.797 where: short stacking energy: -431.332 Base-Backbone interact. energy: -1.932 local terms energy: -446.351004 where: bonds (distance) C4'-P energy: -80.945 bonds (distance) P-C4' energy: -82.315 flat angles C4'-P-C4' energy: -92.510 flat angles P-C4'-P energy: -55.943 tors. eta vs tors. theta energy: -134.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1348.163315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.163315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.163315 (E_RNA) where: Base-Base interactions energy: -936.892 where: short stacking energy: -388.828 Base-Backbone interact. energy: -2.781 local terms energy: -408.490553 where: bonds (distance) C4'-P energy: -67.587 bonds (distance) P-C4' energy: -77.059 flat angles C4'-P-C4' energy: -85.580 flat angles P-C4'-P energy: -68.138 tors. eta vs tors. theta energy: -110.126 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: 3, replica: 5 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1297.642503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.642503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.642503 (E_RNA) where: Base-Base interactions energy: -870.935 where: short stacking energy: -386.897 Base-Backbone interact. energy: 0.749 local terms energy: -427.457053 where: bonds (distance) C4'-P energy: -78.116 bonds (distance) P-C4' energy: -84.005 flat angles C4'-P-C4' energy: -89.790 flat angles P-C4'-P energy: -61.592 tors. eta vs tors. theta energy: -113.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1186.295094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.295094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.295094 (E_RNA) where: Base-Base interactions energy: -816.206 where: short stacking energy: -379.652 Base-Backbone interact. energy: 0.667 local terms energy: -370.756134 where: bonds (distance) C4'-P energy: -61.886 bonds (distance) P-C4' energy: -63.196 flat angles C4'-P-C4' energy: -76.405 flat angles P-C4'-P energy: -58.008 tors. eta vs tors. theta energy: -111.261 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: 3 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1206.664107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.664107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.664107 (E_RNA) where: Base-Base interactions energy: -834.978 where: short stacking energy: -361.627 Base-Backbone interact. energy: 4.201 local terms energy: -375.887440 where: bonds (distance) C4'-P energy: -67.649 bonds (distance) P-C4' energy: -77.948 flat angles C4'-P-C4' energy: -79.112 flat angles P-C4'-P energy: -60.281 tors. eta vs tors. theta energy: -90.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1073.012474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.012474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.012474 (E_RNA) where: Base-Base interactions energy: -741.103 where: short stacking energy: -302.497 Base-Backbone interact. energy: -1.136 local terms energy: -330.774135 where: bonds (distance) C4'-P energy: -58.861 bonds (distance) P-C4' energy: -61.771 flat angles C4'-P-C4' energy: -85.674 flat angles P-C4'-P energy: -55.087 tors. eta vs tors. theta energy: -69.382 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: 7, replica: 4 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -989.377871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.377871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.377871 (E_RNA) where: Base-Base interactions energy: -672.492 where: short stacking energy: -307.008 Base-Backbone interact. energy: 0.879 local terms energy: -317.764933 where: bonds (distance) C4'-P energy: -56.002 bonds (distance) P-C4' energy: -62.822 flat angles C4'-P-C4' energy: -71.483 flat angles P-C4'-P energy: -44.909 tors. eta vs tors. theta energy: -82.549 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: 7 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -799.067292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.067292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.067292 (E_RNA) where: Base-Base interactions energy: -510.963 where: short stacking energy: -205.940 Base-Backbone interact. energy: -1.773 local terms energy: -286.330984 where: bonds (distance) C4'-P energy: -75.266 bonds (distance) P-C4' energy: -64.394 flat angles C4'-P-C4' energy: -56.536 flat angles P-C4'-P energy: -48.974 tors. eta vs tors. theta energy: -41.161 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: 9, replica: 2 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -700.537787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.537787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.537787 (E_RNA) where: Base-Base interactions energy: -417.836 where: short stacking energy: -208.300 Base-Backbone interact. energy: -0.371 local terms energy: -282.331267 where: bonds (distance) C4'-P energy: -69.532 bonds (distance) P-C4' energy: -68.788 flat angles C4'-P-C4' energy: -68.006 flat angles P-C4'-P energy: -42.491 tors. eta vs tors. theta energy: -33.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -452.610203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.610203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.610203 (E_RNA) where: Base-Base interactions energy: -227.614 where: short stacking energy: -141.737 Base-Backbone interact. energy: 2.949 local terms energy: -227.944883 where: bonds (distance) C4'-P energy: -61.023 bonds (distance) P-C4' energy: -65.386 flat angles C4'-P-C4' energy: -61.233 flat angles P-C4'-P energy: -40.137 tors. eta vs tors. theta energy: -0.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1434.730828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.730828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.730828 (E_RNA) where: Base-Base interactions energy: -980.876 where: short stacking energy: -430.559 Base-Backbone interact. energy: -1.759 local terms energy: -452.096081 where: bonds (distance) C4'-P energy: -79.138 bonds (distance) P-C4' energy: -87.644 flat angles C4'-P-C4' energy: -93.059 flat angles P-C4'-P energy: -64.048 tors. eta vs tors. theta energy: -128.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1362.439638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.439638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.439638 (E_RNA) where: Base-Base interactions energy: -950.673 where: short stacking energy: -400.624 Base-Backbone interact. energy: 1.597 local terms energy: -413.362985 where: bonds (distance) C4'-P energy: -61.993 bonds (distance) P-C4' energy: -84.434 flat angles C4'-P-C4' energy: -90.374 flat angles P-C4'-P energy: -65.778 tors. eta vs tors. theta energy: -110.784 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: 5 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1284.894086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.894086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.894086 (E_RNA) where: Base-Base interactions energy: -881.870 where: short stacking energy: -374.946 Base-Backbone interact. energy: -2.064 local terms energy: -400.959694 where: bonds (distance) C4'-P energy: -70.174 bonds (distance) P-C4' energy: -78.944 flat angles C4'-P-C4' energy: -82.058 flat angles P-C4'-P energy: -54.195 tors. eta vs tors. theta energy: -115.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1199.900659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.900659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.900659 (E_RNA) where: Base-Base interactions energy: -828.845 where: short stacking energy: -377.453 Base-Backbone interact. energy: -0.632 local terms energy: -370.423911 where: bonds (distance) C4'-P energy: -72.187 bonds (distance) P-C4' energy: -63.316 flat angles C4'-P-C4' energy: -80.091 flat angles P-C4'-P energy: -52.337 tors. eta vs tors. theta energy: -102.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1168.096464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.096464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.096464 (E_RNA) where: Base-Base interactions energy: -817.281 where: short stacking energy: -331.390 Base-Backbone interact. energy: 0.295 local terms energy: -351.110499 where: bonds (distance) C4'-P energy: -72.230 bonds (distance) P-C4' energy: -58.468 flat angles C4'-P-C4' energy: -79.909 flat angles P-C4'-P energy: -50.667 tors. eta vs tors. theta energy: -89.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1108.854632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.854632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.854632 (E_RNA) where: Base-Base interactions energy: -764.854 where: short stacking energy: -334.499 Base-Backbone interact. energy: -0.883 local terms energy: -343.117648 where: bonds (distance) C4'-P energy: -57.781 bonds (distance) P-C4' energy: -58.673 flat angles C4'-P-C4' energy: -81.070 flat angles P-C4'-P energy: -60.795 tors. eta vs tors. theta energy: -84.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -914.821753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.821753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.821753 (E_RNA) where: Base-Base interactions energy: -597.791 where: short stacking energy: -282.536 Base-Backbone interact. energy: 1.265 local terms energy: -318.295542 where: bonds (distance) C4'-P energy: -79.744 bonds (distance) P-C4' energy: -57.113 flat angles C4'-P-C4' energy: -73.513 flat angles P-C4'-P energy: -45.570 tors. eta vs tors. theta energy: -62.355 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: 7 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -756.345234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.345234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.345234 (E_RNA) where: Base-Base interactions energy: -472.059 where: short stacking energy: -218.149 Base-Backbone interact. energy: -2.453 local terms energy: -281.833145 where: bonds (distance) C4'-P energy: -71.901 bonds (distance) P-C4' energy: -66.550 flat angles C4'-P-C4' energy: -71.316 flat angles P-C4'-P energy: -39.709 tors. eta vs tors. theta energy: -32.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -676.732459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.732459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.732459 (E_RNA) where: Base-Base interactions energy: -405.012 where: short stacking energy: -194.438 Base-Backbone interact. energy: 2.334 local terms energy: -274.054763 where: bonds (distance) C4'-P energy: -63.835 bonds (distance) P-C4' energy: -71.849 flat angles C4'-P-C4' energy: -72.753 flat angles P-C4'-P energy: -40.990 tors. eta vs tors. theta energy: -24.627 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: 10, replica: 1 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -462.405884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.405884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.405884 (E_RNA) where: Base-Base interactions energy: -244.999 where: short stacking energy: -140.618 Base-Backbone interact. energy: 0.708 local terms energy: -218.115017 where: bonds (distance) C4'-P energy: -64.457 bonds (distance) P-C4' energy: -65.657 flat angles C4'-P-C4' energy: -44.770 flat angles P-C4'-P energy: -33.380 tors. eta vs tors. theta energy: -9.850 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: 9 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1409.751248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.751248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.751248 (E_RNA) where: Base-Base interactions energy: -989.638 where: short stacking energy: -435.417 Base-Backbone interact. energy: -1.450 local terms energy: -418.663441 where: bonds (distance) C4'-P energy: -67.694 bonds (distance) P-C4' energy: -70.357 flat angles C4'-P-C4' energy: -87.745 flat angles P-C4'-P energy: -67.105 tors. eta vs tors. theta energy: -125.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1356.565008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.565008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.565008 (E_RNA) where: Base-Base interactions energy: -955.178 where: short stacking energy: -401.338 Base-Backbone interact. energy: -0.946 local terms energy: -400.440860 where: bonds (distance) C4'-P energy: -69.156 bonds (distance) P-C4' energy: -67.350 flat angles C4'-P-C4' energy: -89.895 flat angles P-C4'-P energy: -63.685 tors. eta vs tors. theta energy: -110.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1297.549894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.549894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.549894 (E_RNA) where: Base-Base interactions energy: -890.448 where: short stacking energy: -381.053 Base-Backbone interact. energy: -1.007 local terms energy: -406.095302 where: bonds (distance) C4'-P energy: -69.414 bonds (distance) P-C4' energy: -76.395 flat angles C4'-P-C4' energy: -90.830 flat angles P-C4'-P energy: -55.284 tors. eta vs tors. theta energy: -114.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1229.174589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.174589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.174589 (E_RNA) where: Base-Base interactions energy: -848.040 where: short stacking energy: -365.677 Base-Backbone interact. energy: -1.978 local terms energy: -379.156018 where: bonds (distance) C4'-P energy: -76.966 bonds (distance) P-C4' energy: -75.817 flat angles C4'-P-C4' energy: -78.987 flat angles P-C4'-P energy: -45.723 tors. eta vs tors. theta energy: -101.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1209.549010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.549010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.549010 (E_RNA) where: Base-Base interactions energy: -840.404 where: short stacking energy: -363.592 Base-Backbone interact. energy: -2.219 local terms energy: -366.926369 where: bonds (distance) C4'-P energy: -61.926 bonds (distance) P-C4' energy: -60.263 flat angles C4'-P-C4' energy: -81.892 flat angles P-C4'-P energy: -63.055 tors. eta vs tors. theta energy: -99.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1081.969275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.969275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.969275 (E_RNA) where: Base-Base interactions energy: -774.518 where: short stacking energy: -302.682 Base-Backbone interact. energy: -1.132 local terms energy: -306.319469 where: bonds (distance) C4'-P energy: -55.663 bonds (distance) P-C4' energy: -59.956 flat angles C4'-P-C4' energy: -64.675 flat angles P-C4'-P energy: -46.890 tors. eta vs tors. theta energy: -79.136 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: 4 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -921.420968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.420968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.420968 (E_RNA) where: Base-Base interactions energy: -597.263 where: short stacking energy: -279.129 Base-Backbone interact. energy: 0.010 local terms energy: -324.168119 where: bonds (distance) C4'-P energy: -56.642 bonds (distance) P-C4' energy: -69.223 flat angles C4'-P-C4' energy: -76.128 flat angles P-C4'-P energy: -57.065 tors. eta vs tors. theta energy: -65.111 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: 7 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -778.276832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.276832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.276832 (E_RNA) where: Base-Base interactions energy: -495.370 where: short stacking energy: -211.508 Base-Backbone interact. energy: -1.369 local terms energy: -281.537911 where: bonds (distance) C4'-P energy: -77.450 bonds (distance) P-C4' energy: -67.536 flat angles C4'-P-C4' energy: -61.334 flat angles P-C4'-P energy: -36.588 tors. eta vs tors. theta energy: -38.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -696.124151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.124151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.124151 (E_RNA) where: Base-Base interactions energy: -426.767 where: short stacking energy: -195.617 Base-Backbone interact. energy: 1.116 local terms energy: -270.473346 where: bonds (distance) C4'-P energy: -66.965 bonds (distance) P-C4' energy: -64.434 flat angles C4'-P-C4' energy: -64.590 flat angles P-C4'-P energy: -40.399 tors. eta vs tors. theta energy: -34.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -451.944671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.944671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.944671 (E_RNA) where: Base-Base interactions energy: -229.184 where: short stacking energy: -136.583 Base-Backbone interact. energy: 1.786 local terms energy: -224.546181 where: bonds (distance) C4'-P energy: -66.045 bonds (distance) P-C4' energy: -69.090 flat angles C4'-P-C4' energy: -58.516 flat angles P-C4'-P energy: -29.283 tors. eta vs tors. theta energy: -1.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1450.029736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.029736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.029736 (E_RNA) where: Base-Base interactions energy: -1006.858 where: short stacking energy: -427.459 Base-Backbone interact. energy: -1.642 local terms energy: -441.530270 where: bonds (distance) C4'-P energy: -81.391 bonds (distance) P-C4' energy: -76.585 flat angles C4'-P-C4' energy: -84.114 flat angles P-C4'-P energy: -63.971 tors. eta vs tors. theta energy: -135.469 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: 10 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1351.196228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.196228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.196228 (E_RNA) where: Base-Base interactions energy: -936.866 where: short stacking energy: -402.957 Base-Backbone interact. energy: -1.314 local terms energy: -413.016181 where: bonds (distance) C4'-P energy: -73.897 bonds (distance) P-C4' energy: -81.806 flat angles C4'-P-C4' energy: -87.817 flat angles P-C4'-P energy: -61.443 tors. eta vs tors. theta energy: -108.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1311.794406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.794406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.794406 (E_RNA) where: Base-Base interactions energy: -902.143 where: short stacking energy: -371.541 Base-Backbone interact. energy: -0.109 local terms energy: -409.542250 where: bonds (distance) C4'-P energy: -62.995 bonds (distance) P-C4' energy: -77.091 flat angles C4'-P-C4' energy: -94.667 flat angles P-C4'-P energy: -65.665 tors. eta vs tors. theta energy: -109.124 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: 6 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1239.472246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.472246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.472246 (E_RNA) where: Base-Base interactions energy: -842.401 where: short stacking energy: -376.933 Base-Backbone interact. energy: -1.074 local terms energy: -395.997399 where: bonds (distance) C4'-P energy: -60.986 bonds (distance) P-C4' energy: -73.842 flat angles C4'-P-C4' energy: -82.587 flat angles P-C4'-P energy: -63.107 tors. eta vs tors. theta energy: -115.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1198.884606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.884606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.884606 (E_RNA) where: Base-Base interactions energy: -811.778 where: short stacking energy: -323.694 Base-Backbone interact. energy: -3.050 local terms energy: -384.056445 where: bonds (distance) C4'-P energy: -68.552 bonds (distance) P-C4' energy: -83.144 flat angles C4'-P-C4' energy: -82.188 flat angles P-C4'-P energy: -59.077 tors. eta vs tors. theta energy: -91.095 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: 8 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1041.362936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.362936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.362936 (E_RNA) where: Base-Base interactions energy: -713.898 where: short stacking energy: -326.621 Base-Backbone interact. energy: -2.868 local terms energy: -324.596210 where: bonds (distance) C4'-P energy: -62.323 bonds (distance) P-C4' energy: -68.567 flat angles C4'-P-C4' energy: -66.811 flat angles P-C4'-P energy: -50.490 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: 7, replica: 4 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -970.624857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.624857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.624857 (E_RNA) where: Base-Base interactions energy: -654.964 where: short stacking energy: -274.728 Base-Backbone interact. energy: -0.742 local terms energy: -314.919363 where: bonds (distance) C4'-P energy: -63.921 bonds (distance) P-C4' energy: -71.637 flat angles C4'-P-C4' energy: -71.965 flat angles P-C4'-P energy: -41.676 tors. eta vs tors. theta energy: -65.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -777.312076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.312076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.312076 (E_RNA) where: Base-Base interactions energy: -486.470 where: short stacking energy: -233.544 Base-Backbone interact. energy: -2.822 local terms energy: -288.019820 where: bonds (distance) C4'-P energy: -62.942 bonds (distance) P-C4' energy: -71.073 flat angles C4'-P-C4' energy: -61.098 flat angles P-C4'-P energy: -43.556 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: 2 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -622.964636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.964636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.964636 (E_RNA) where: Base-Base interactions energy: -380.135 where: short stacking energy: -170.614 Base-Backbone interact. energy: -1.237 local terms energy: -241.592456 where: bonds (distance) C4'-P energy: -65.241 bonds (distance) P-C4' energy: -60.625 flat angles C4'-P-C4' energy: -66.331 flat angles P-C4'-P energy: -30.474 tors. eta vs tors. theta energy: -18.922 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: 10, replica: 1 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -521.683274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.683274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.683274 (E_RNA) where: Base-Base interactions energy: -283.600 where: short stacking energy: -168.126 Base-Backbone interact. energy: 0.142 local terms energy: -238.225271 where: bonds (distance) C4'-P energy: -55.991 bonds (distance) P-C4' energy: -67.886 flat angles C4'-P-C4' energy: -66.120 flat angles P-C4'-P energy: -28.093 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: 1, replica: 9 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1453.492493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.492493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.492493 (E_RNA) where: Base-Base interactions energy: -1003.315 where: short stacking energy: -446.177 Base-Backbone interact. energy: -1.403 local terms energy: -448.774485 where: bonds (distance) C4'-P energy: -84.490 bonds (distance) P-C4' energy: -80.052 flat angles C4'-P-C4' energy: -89.061 flat angles P-C4'-P energy: -57.791 tors. eta vs tors. theta energy: -137.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1326.439581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.439581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.439581 (E_RNA) where: Base-Base interactions energy: -915.566 where: short stacking energy: -402.393 Base-Backbone interact. energy: 0.724 local terms energy: -411.597921 where: bonds (distance) C4'-P energy: -75.148 bonds (distance) P-C4' energy: -70.693 flat angles C4'-P-C4' energy: -91.386 flat angles P-C4'-P energy: -67.292 tors. eta vs tors. theta energy: -107.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1303.143260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.143260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.143260 (E_RNA) where: Base-Base interactions energy: -889.492 where: short stacking energy: -391.358 Base-Backbone interact. energy: -0.699 local terms energy: -412.952538 where: bonds (distance) C4'-P energy: -67.039 bonds (distance) P-C4' energy: -69.997 flat angles C4'-P-C4' energy: -93.131 flat angles P-C4'-P energy: -67.461 tors. eta vs tors. theta energy: -115.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1228.414566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.414566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.414566 (E_RNA) where: Base-Base interactions energy: -834.366 where: short stacking energy: -376.105 Base-Backbone interact. energy: -1.315 local terms energy: -392.733982 where: bonds (distance) C4'-P energy: -71.714 bonds (distance) P-C4' energy: -77.107 flat angles C4'-P-C4' energy: -84.616 flat angles P-C4'-P energy: -49.472 tors. eta vs tors. theta energy: -109.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1202.040514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.040514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.040514 (E_RNA) where: Base-Base interactions energy: -819.195 where: short stacking energy: -343.154 Base-Backbone interact. energy: -1.600 local terms energy: -381.245472 where: bonds (distance) C4'-P energy: -67.877 bonds (distance) P-C4' energy: -69.289 flat angles C4'-P-C4' energy: -90.414 flat angles P-C4'-P energy: -49.024 tors. eta vs tors. theta energy: -104.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1075.066717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.066717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.066717 (E_RNA) where: Base-Base interactions energy: -759.382 where: short stacking energy: -325.173 Base-Backbone interact. energy: -1.605 local terms energy: -314.079162 where: bonds (distance) C4'-P energy: -58.533 bonds (distance) P-C4' energy: -80.434 flat angles C4'-P-C4' energy: -69.334 flat angles P-C4'-P energy: -31.506 tors. eta vs tors. theta energy: -74.272 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: 4 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -931.053750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.053750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.053750 (E_RNA) where: Base-Base interactions energy: -598.326 where: short stacking energy: -253.826 Base-Backbone interact. energy: -2.438 local terms energy: -330.289656 where: bonds (distance) C4'-P energy: -68.494 bonds (distance) P-C4' energy: -66.890 flat angles C4'-P-C4' energy: -81.642 flat angles P-C4'-P energy: -41.585 tors. eta vs tors. theta energy: -71.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -795.312835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.312835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.312835 (E_RNA) where: Base-Base interactions energy: -523.096 where: short stacking energy: -258.917 Base-Backbone interact. energy: -0.804 local terms energy: -271.412911 where: bonds (distance) C4'-P energy: -69.621 bonds (distance) P-C4' energy: -64.852 flat angles C4'-P-C4' energy: -67.700 flat angles P-C4'-P energy: -23.465 tors. eta vs tors. theta energy: -45.775 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: 1 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -512.338537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.338537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.338537 (E_RNA) where: Base-Base interactions energy: -270.338 where: short stacking energy: -152.156 Base-Backbone interact. energy: 2.231 local terms energy: -244.231627 where: bonds (distance) C4'-P energy: -61.612 bonds (distance) P-C4' energy: -78.425 flat angles C4'-P-C4' energy: -63.595 flat angles P-C4'-P energy: -27.455 tors. eta vs tors. theta energy: -13.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -591.252028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.252028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.252028 (E_RNA) where: Base-Base interactions energy: -342.917 where: short stacking energy: -172.758 Base-Backbone interact. energy: -0.185 local terms energy: -248.149626 where: bonds (distance) C4'-P energy: -61.909 bonds (distance) P-C4' energy: -67.655 flat angles C4'-P-C4' energy: -54.584 flat angles P-C4'-P energy: -42.167 tors. eta vs tors. theta energy: -21.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1424.477299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.477299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.477299 (E_RNA) where: Base-Base interactions energy: -983.446 where: short stacking energy: -411.685 Base-Backbone interact. energy: -1.554 local terms energy: -439.477304 where: bonds (distance) C4'-P energy: -69.632 bonds (distance) P-C4' energy: -79.300 flat angles C4'-P-C4' energy: -97.043 flat angles P-C4'-P energy: -65.579 tors. eta vs tors. theta energy: -127.922 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: 383 Temperature: 0.950000 Total energy: -1345.340604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.340604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.340604 (E_RNA) where: Base-Base interactions energy: -933.420 where: short stacking energy: -399.357 Base-Backbone interact. energy: 0.425 local terms energy: -412.345567 where: bonds (distance) C4'-P energy: -77.136 bonds (distance) P-C4' energy: -78.920 flat angles C4'-P-C4' energy: -86.780 flat angles P-C4'-P energy: -55.209 tors. eta vs tors. theta energy: -114.300 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: 5 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1283.030102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.030102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.030102 (E_RNA) where: Base-Base interactions energy: -901.896 where: short stacking energy: -397.346 Base-Backbone interact. energy: 0.790 local terms energy: -381.923979 where: bonds (distance) C4'-P energy: -64.453 bonds (distance) P-C4' energy: -69.100 flat angles C4'-P-C4' energy: -82.963 flat angles P-C4'-P energy: -59.885 tors. eta vs tors. theta energy: -105.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1245.346113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.346113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.346113 (E_RNA) where: Base-Base interactions energy: -860.597 where: short stacking energy: -376.183 Base-Backbone interact. energy: -1.675 local terms energy: -383.074028 where: bonds (distance) C4'-P energy: -63.896 bonds (distance) P-C4' energy: -77.738 flat angles C4'-P-C4' energy: -81.057 flat angles P-C4'-P energy: -51.209 tors. eta vs tors. theta energy: -109.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1226.750333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.750333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.750333 (E_RNA) where: Base-Base interactions energy: -839.500 where: short stacking energy: -360.102 Base-Backbone interact. energy: -3.183 local terms energy: -384.066797 where: bonds (distance) C4'-P energy: -85.027 bonds (distance) P-C4' energy: -64.716 flat angles C4'-P-C4' energy: -87.168 flat angles P-C4'-P energy: -44.530 tors. eta vs tors. theta energy: -102.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1108.735201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.735201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.735201 (E_RNA) where: Base-Base interactions energy: -773.295 where: short stacking energy: -338.358 Base-Backbone interact. energy: -1.390 local terms energy: -334.049691 where: bonds (distance) C4'-P energy: -68.522 bonds (distance) P-C4' energy: -77.235 flat angles C4'-P-C4' energy: -71.727 flat angles P-C4'-P energy: -33.740 tors. eta vs tors. theta energy: -82.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -954.211981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.211981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.211981 (E_RNA) where: Base-Base interactions energy: -629.385 where: short stacking energy: -285.825 Base-Backbone interact. energy: -1.317 local terms energy: -323.510213 where: bonds (distance) C4'-P energy: -62.794 bonds (distance) P-C4' energy: -73.853 flat angles C4'-P-C4' energy: -71.132 flat angles P-C4'-P energy: -48.688 tors. eta vs tors. theta energy: -67.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -767.951800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.951800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.951800 (E_RNA) where: Base-Base interactions energy: -494.023 where: short stacking energy: -219.627 Base-Backbone interact. energy: -1.755 local terms energy: -272.174291 where: bonds (distance) C4'-P energy: -61.726 bonds (distance) P-C4' energy: -59.300 flat angles C4'-P-C4' energy: -62.865 flat angles P-C4'-P energy: -41.115 tors. eta vs tors. theta energy: -47.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -483.886324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.886324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.886324 (E_RNA) where: Base-Base interactions energy: -228.315 where: short stacking energy: -146.426 Base-Backbone interact. energy: -1.132 local terms energy: -254.439746 where: bonds (distance) C4'-P energy: -73.835 bonds (distance) P-C4' energy: -63.721 flat angles C4'-P-C4' energy: -54.753 flat angles P-C4'-P energy: -42.823 tors. eta vs tors. theta energy: -19.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -564.870033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.870033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.870033 (E_RNA) where: Base-Base interactions energy: -315.229 where: short stacking energy: -162.199 Base-Backbone interact. energy: -1.105 local terms energy: -248.535820 where: bonds (distance) C4'-P energy: -73.320 bonds (distance) P-C4' energy: -59.722 flat angles C4'-P-C4' energy: -62.474 flat angles P-C4'-P energy: -32.287 tors. eta vs tors. theta energy: -20.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1438.379331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.379331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.379331 (E_RNA) where: Base-Base interactions energy: -984.501 where: short stacking energy: -411.134 Base-Backbone interact. energy: -3.164 local terms energy: -450.714068 where: bonds (distance) C4'-P energy: -81.989 bonds (distance) P-C4' energy: -85.347 flat angles C4'-P-C4' energy: -86.833 flat angles P-C4'-P energy: -62.133 tors. eta vs tors. theta energy: -134.411 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: 10 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1362.633231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.633231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.633231 (E_RNA) where: Base-Base interactions energy: -938.620 where: short stacking energy: -413.955 Base-Backbone interact. energy: 4.600 local terms energy: -428.613144 where: bonds (distance) C4'-P energy: -74.018 bonds (distance) P-C4' energy: -74.673 flat angles C4'-P-C4' energy: -96.106 flat angles P-C4'-P energy: -62.749 tors. eta vs tors. theta energy: -121.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1282.006863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.006863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.006863 (E_RNA) where: Base-Base interactions energy: -879.728 where: short stacking energy: -377.993 Base-Backbone interact. energy: -2.272 local terms energy: -400.006391 where: bonds (distance) C4'-P energy: -64.511 bonds (distance) P-C4' energy: -79.033 flat angles C4'-P-C4' energy: -92.629 flat angles P-C4'-P energy: -55.649 tors. eta vs tors. theta energy: -108.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1245.337641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.337641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.337641 (E_RNA) where: Base-Base interactions energy: -860.063 where: short stacking energy: -388.629 Base-Backbone interact. energy: -1.955 local terms energy: -383.319420 where: bonds (distance) C4'-P energy: -72.964 bonds (distance) P-C4' energy: -75.655 flat angles C4'-P-C4' energy: -82.848 flat angles P-C4'-P energy: -51.850 tors. eta vs tors. theta energy: -100.003 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: 5, replica: 3 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1185.697424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.697424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.697424 (E_RNA) where: Base-Base interactions energy: -804.023 where: short stacking energy: -346.596 Base-Backbone interact. energy: -0.778 local terms energy: -380.897117 where: bonds (distance) C4'-P energy: -63.589 bonds (distance) P-C4' energy: -77.996 flat angles C4'-P-C4' energy: -94.822 flat angles P-C4'-P energy: -47.986 tors. eta vs tors. theta energy: -96.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1118.550073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.550073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.550073 (E_RNA) where: Base-Base interactions energy: -773.950 where: short stacking energy: -312.209 Base-Backbone interact. energy: -2.440 local terms energy: -342.160613 where: bonds (distance) C4'-P energy: -70.396 bonds (distance) P-C4' energy: -70.704 flat angles C4'-P-C4' energy: -72.780 flat angles P-C4'-P energy: -45.709 tors. eta vs tors. theta energy: -82.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -954.097183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.097183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.097183 (E_RNA) where: Base-Base interactions energy: -641.951 where: short stacking energy: -284.848 Base-Backbone interact. energy: -1.876 local terms energy: -310.270516 where: bonds (distance) C4'-P energy: -64.024 bonds (distance) P-C4' energy: -62.501 flat angles C4'-P-C4' energy: -72.177 flat angles P-C4'-P energy: -47.813 tors. eta vs tors. theta energy: -63.756 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: 7 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -767.254367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.254367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.254367 (E_RNA) where: Base-Base interactions energy: -479.876 where: short stacking energy: -213.828 Base-Backbone interact. energy: -2.473 local terms energy: -284.905370 where: bonds (distance) C4'-P energy: -65.188 bonds (distance) P-C4' energy: -68.149 flat angles C4'-P-C4' energy: -70.211 flat angles P-C4'-P energy: -41.612 tors. eta vs tors. theta energy: -39.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -619.816430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.816430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.816430 (E_RNA) where: Base-Base interactions energy: -378.801 where: short stacking energy: -185.868 Base-Backbone interact. energy: -1.673 local terms energy: -239.342497 where: bonds (distance) C4'-P energy: -56.564 bonds (distance) P-C4' energy: -69.793 flat angles C4'-P-C4' energy: -59.072 flat angles P-C4'-P energy: -31.574 tors. eta vs tors. theta energy: -22.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -466.722504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.722504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.722504 (E_RNA) where: Base-Base interactions energy: -249.274 where: short stacking energy: -156.627 Base-Backbone interact. energy: 1.148 local terms energy: -218.596720 where: bonds (distance) C4'-P energy: -52.051 bonds (distance) P-C4' energy: -59.826 flat angles C4'-P-C4' energy: -58.027 flat angles P-C4'-P energy: -38.517 tors. eta vs tors. theta energy: -10.176 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: 9 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1448.924171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.924171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.924171 (E_RNA) where: Base-Base interactions energy: -996.709 where: short stacking energy: -443.230 Base-Backbone interact. energy: -1.588 local terms energy: -450.627537 where: bonds (distance) C4'-P energy: -79.462 bonds (distance) P-C4' energy: -76.678 flat angles C4'-P-C4' energy: -93.318 flat angles P-C4'-P energy: -55.974 tors. eta vs tors. theta energy: -145.195 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: 10 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1348.651431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.651431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.651431 (E_RNA) where: Base-Base interactions energy: -951.129 where: short stacking energy: -409.859 Base-Backbone interact. energy: 1.038 local terms energy: -398.560097 where: bonds (distance) C4'-P energy: -75.099 bonds (distance) P-C4' energy: -69.202 flat angles C4'-P-C4' energy: -89.439 flat angles P-C4'-P energy: -57.239 tors. eta vs tors. theta energy: -107.581 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: 5 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1291.592379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.592379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.592379 (E_RNA) where: Base-Base interactions energy: -878.857 where: short stacking energy: -364.237 Base-Backbone interact. energy: -1.900 local terms energy: -410.836306 where: bonds (distance) C4'-P energy: -72.111 bonds (distance) P-C4' energy: -71.345 flat angles C4'-P-C4' energy: -91.261 flat angles P-C4'-P energy: -62.818 tors. eta vs tors. theta energy: -113.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1262.857486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.857486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.857486 (E_RNA) where: Base-Base interactions energy: -893.575 where: short stacking energy: -364.583 Base-Backbone interact. energy: -3.753 local terms energy: -365.529672 where: bonds (distance) C4'-P energy: -60.804 bonds (distance) P-C4' energy: -64.362 flat angles C4'-P-C4' energy: -83.301 flat angles P-C4'-P energy: -58.547 tors. eta vs tors. theta energy: -98.515 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: 6 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1216.539341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.539341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.539341 (E_RNA) where: Base-Base interactions energy: -833.727 where: short stacking energy: -354.038 Base-Backbone interact. energy: -1.786 local terms energy: -381.026228 where: bonds (distance) C4'-P energy: -63.887 bonds (distance) P-C4' energy: -72.242 flat angles C4'-P-C4' energy: -81.778 flat angles P-C4'-P energy: -58.840 tors. eta vs tors. theta energy: -104.280 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: 8 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1110.050012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.050012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.050012 (E_RNA) where: Base-Base interactions energy: -754.826 where: short stacking energy: -309.243 Base-Backbone interact. energy: -4.926 local terms energy: -350.297431 where: bonds (distance) C4'-P energy: -72.541 bonds (distance) P-C4' energy: -74.639 flat angles C4'-P-C4' energy: -71.352 flat angles P-C4'-P energy: -49.675 tors. eta vs tors. theta energy: -82.090 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: 4 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -914.946316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.946316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.946316 (E_RNA) where: Base-Base interactions energy: -577.845 where: short stacking energy: -257.620 Base-Backbone interact. energy: -1.979 local terms energy: -335.122516 where: bonds (distance) C4'-P energy: -77.375 bonds (distance) P-C4' energy: -76.405 flat angles C4'-P-C4' energy: -77.160 flat angles P-C4'-P energy: -43.437 tors. eta vs tors. theta energy: -60.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -838.239787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.239787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.239787 (E_RNA) where: Base-Base interactions energy: -517.891 where: short stacking energy: -263.472 Base-Backbone interact. energy: -1.529 local terms energy: -318.820201 where: bonds (distance) C4'-P energy: -54.581 bonds (distance) P-C4' energy: -70.918 flat angles C4'-P-C4' energy: -84.564 flat angles P-C4'-P energy: -38.200 tors. eta vs tors. theta energy: -70.557 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: 2 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -585.914061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.914061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.914061 (E_RNA) where: Base-Base interactions energy: -341.854 where: short stacking energy: -183.610 Base-Backbone interact. energy: 3.296 local terms energy: -247.355375 where: bonds (distance) C4'-P energy: -66.672 bonds (distance) P-C4' energy: -65.274 flat angles C4'-P-C4' energy: -56.652 flat angles P-C4'-P energy: -43.706 tors. eta vs tors. theta energy: -15.051 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: 10, replica: 1 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -478.499792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.499792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.499792 (E_RNA) where: Base-Base interactions energy: -261.173 where: short stacking energy: -135.085 Base-Backbone interact. energy: -2.199 local terms energy: -215.127711 where: bonds (distance) C4'-P energy: -55.931 bonds (distance) P-C4' energy: -46.688 flat angles C4'-P-C4' energy: -66.390 flat angles P-C4'-P energy: -42.933 tors. eta vs tors. theta energy: -3.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1425.412659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.412659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.412659 (E_RNA) where: Base-Base interactions energy: -984.998 where: short stacking energy: -417.133 Base-Backbone interact. energy: -0.016 local terms energy: -440.399527 where: bonds (distance) C4'-P energy: -79.686 bonds (distance) P-C4' energy: -78.539 flat angles C4'-P-C4' energy: -92.460 flat angles P-C4'-P energy: -59.324 tors. eta vs tors. theta energy: -130.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1359.422665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.422665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.422665 (E_RNA) where: Base-Base interactions energy: -946.336 where: short stacking energy: -392.155 Base-Backbone interact. energy: 0.570 local terms energy: -413.656289 where: bonds (distance) C4'-P energy: -77.154 bonds (distance) P-C4' energy: -81.536 flat angles C4'-P-C4' energy: -85.303 flat angles P-C4'-P energy: -59.625 tors. eta vs tors. theta energy: -110.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1289.046511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.046511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.046511 (E_RNA) where: Base-Base interactions energy: -883.817 where: short stacking energy: -370.279 Base-Backbone interact. energy: -0.697 local terms energy: -404.532937 where: bonds (distance) C4'-P energy: -72.958 bonds (distance) P-C4' energy: -69.556 flat angles C4'-P-C4' energy: -92.688 flat angles P-C4'-P energy: -64.698 tors. eta vs tors. theta energy: -104.634 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: 3 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1264.851023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.851023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.851023 (E_RNA) where: Base-Base interactions energy: -891.164 where: short stacking energy: -374.548 Base-Backbone interact. energy: 0.170 local terms energy: -373.857040 where: bonds (distance) C4'-P energy: -62.991 bonds (distance) P-C4' energy: -74.572 flat angles C4'-P-C4' energy: -85.143 flat angles P-C4'-P energy: -47.314 tors. eta vs tors. theta energy: -103.837 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: 5, replica: 6 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1205.426715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.426715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.426715 (E_RNA) where: Base-Base interactions energy: -820.701 where: short stacking energy: -374.280 Base-Backbone interact. energy: -2.048 local terms energy: -382.677945 where: bonds (distance) C4'-P energy: -66.266 bonds (distance) P-C4' energy: -75.642 flat angles C4'-P-C4' energy: -77.172 flat angles P-C4'-P energy: -54.413 tors. eta vs tors. theta energy: -109.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1111.387004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.387004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.387004 (E_RNA) where: Base-Base interactions energy: -750.114 where: short stacking energy: -314.065 Base-Backbone interact. energy: -1.048 local terms energy: -360.225062 where: bonds (distance) C4'-P energy: -72.885 bonds (distance) P-C4' energy: -69.666 flat angles C4'-P-C4' energy: -82.926 flat angles P-C4'-P energy: -56.108 tors. eta vs tors. theta energy: -78.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -915.091363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.091363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.091363 (E_RNA) where: Base-Base interactions energy: -598.371 where: short stacking energy: -277.150 Base-Backbone interact. energy: 2.031 local terms energy: -318.751542 where: bonds (distance) C4'-P energy: -71.916 bonds (distance) P-C4' energy: -64.197 flat angles C4'-P-C4' energy: -65.859 flat angles P-C4'-P energy: -47.208 tors. eta vs tors. theta energy: -69.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -847.507203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.507203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.507203 (E_RNA) where: Base-Base interactions energy: -549.751 where: short stacking energy: -247.444 Base-Backbone interact. energy: -2.179 local terms energy: -295.577659 where: bonds (distance) C4'-P energy: -63.485 bonds (distance) P-C4' energy: -60.530 flat angles C4'-P-C4' energy: -72.321 flat angles P-C4'-P energy: -39.435 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: 9, replica: 2 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -606.893927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.893927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.893927 (E_RNA) where: Base-Base interactions energy: -335.375 where: short stacking energy: -177.220 Base-Backbone interact. energy: -0.265 local terms energy: -271.254721 where: bonds (distance) C4'-P energy: -65.162 bonds (distance) P-C4' energy: -68.491 flat angles C4'-P-C4' energy: -61.475 flat angles P-C4'-P energy: -42.284 tors. eta vs tors. theta energy: -33.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -486.344036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.344036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.344036 (E_RNA) where: Base-Base interactions energy: -250.819 where: short stacking energy: -154.160 Base-Backbone interact. energy: -1.831 local terms energy: -233.694220 where: bonds (distance) C4'-P energy: -47.114 bonds (distance) P-C4' energy: -77.468 flat angles C4'-P-C4' energy: -60.904 flat angles P-C4'-P energy: -35.302 tors. eta vs tors. theta energy: -12.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1435.172355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.172355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.172355 (E_RNA) where: Base-Base interactions energy: -987.901 where: short stacking energy: -420.368 Base-Backbone interact. energy: -0.798 local terms energy: -446.473847 where: bonds (distance) C4'-P energy: -80.786 bonds (distance) P-C4' energy: -76.608 flat angles C4'-P-C4' energy: -90.526 flat angles P-C4'-P energy: -66.587 tors. eta vs tors. theta energy: -131.967 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: 2, replica: 10 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1331.946998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.946998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.946998 (E_RNA) where: Base-Base interactions energy: -920.677 where: short stacking energy: -391.823 Base-Backbone interact. energy: 0.343 local terms energy: -411.612571 where: bonds (distance) C4'-P energy: -74.243 bonds (distance) P-C4' energy: -85.719 flat angles C4'-P-C4' energy: -86.253 flat angles P-C4'-P energy: -61.020 tors. eta vs tors. theta energy: -104.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1269.660901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.660901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.660901 (E_RNA) where: Base-Base interactions energy: -874.530 where: short stacking energy: -383.492 Base-Backbone interact. energy: -1.696 local terms energy: -393.435741 where: bonds (distance) C4'-P energy: -70.828 bonds (distance) P-C4' energy: -73.485 flat angles C4'-P-C4' energy: -84.479 flat angles P-C4'-P energy: -63.042 tors. eta vs tors. theta energy: -101.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1229.464491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.464491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.464491 (E_RNA) where: Base-Base interactions energy: -846.059 where: short stacking energy: -389.296 Base-Backbone interact. energy: -1.103 local terms energy: -382.302844 where: bonds (distance) C4'-P energy: -70.048 bonds (distance) P-C4' energy: -60.525 flat angles C4'-P-C4' energy: -88.038 flat angles P-C4'-P energy: -54.110 tors. eta vs tors. theta energy: -109.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1192.957966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.957966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.957966 (E_RNA) where: Base-Base interactions energy: -803.382 where: short stacking energy: -357.909 Base-Backbone interact. energy: -1.525 local terms energy: -388.051130 where: bonds (distance) C4'-P energy: -69.625 bonds (distance) P-C4' energy: -82.105 flat angles C4'-P-C4' energy: -88.865 flat angles P-C4'-P energy: -39.758 tors. eta vs tors. theta energy: -107.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1134.893537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.893537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.893537 (E_RNA) where: Base-Base interactions energy: -804.527 where: short stacking energy: -328.990 Base-Backbone interact. energy: -2.406 local terms energy: -327.960090 where: bonds (distance) C4'-P energy: -56.470 bonds (distance) P-C4' energy: -70.141 flat angles C4'-P-C4' energy: -65.953 flat angles P-C4'-P energy: -49.807 tors. eta vs tors. theta energy: -85.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -942.154241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.154241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.154241 (E_RNA) where: Base-Base interactions energy: -614.126 where: short stacking energy: -280.154 Base-Backbone interact. energy: -0.197 local terms energy: -327.830882 where: bonds (distance) C4'-P energy: -61.294 bonds (distance) P-C4' energy: -79.332 flat angles C4'-P-C4' energy: -68.184 flat angles P-C4'-P energy: -47.139 tors. eta vs tors. theta energy: -71.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -813.020169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.020169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.020169 (E_RNA) where: Base-Base interactions energy: -527.655 where: short stacking energy: -234.266 Base-Backbone interact. energy: 0.268 local terms energy: -285.632512 where: bonds (distance) C4'-P energy: -57.009 bonds (distance) P-C4' energy: -66.836 flat angles C4'-P-C4' energy: -70.504 flat angles P-C4'-P energy: -43.226 tors. eta vs tors. theta energy: -48.057 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: 2 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -580.636404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.636404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.636404 (E_RNA) where: Base-Base interactions energy: -333.347 where: short stacking energy: -178.514 Base-Backbone interact. energy: -0.051 local terms energy: -247.238708 where: bonds (distance) C4'-P energy: -55.465 bonds (distance) P-C4' energy: -74.598 flat angles C4'-P-C4' energy: -62.505 flat angles P-C4'-P energy: -41.684 tors. eta vs tors. theta energy: -12.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -518.261141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.261141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.261141 (E_RNA) where: Base-Base interactions energy: -283.341 where: short stacking energy: -161.211 Base-Backbone interact. energy: -5.012 local terms energy: -229.908953 where: bonds (distance) C4'-P energy: -63.807 bonds (distance) P-C4' energy: -64.152 flat angles C4'-P-C4' energy: -64.019 flat angles P-C4'-P energy: -32.109 tors. eta vs tors. theta energy: -5.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1425.495242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.495242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.495242 (E_RNA) where: Base-Base interactions energy: -973.980 where: short stacking energy: -419.159 Base-Backbone interact. energy: -2.434 local terms energy: -449.080901 where: bonds (distance) C4'-P energy: -81.585 bonds (distance) P-C4' energy: -75.808 flat angles C4'-P-C4' energy: -96.110 flat angles P-C4'-P energy: -67.310 tors. eta vs tors. theta energy: -128.268 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: 2, replica: 10 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1361.614884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.614884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.614884 (E_RNA) where: Base-Base interactions energy: -940.558 where: short stacking energy: -401.596 Base-Backbone interact. energy: -0.438 local terms energy: -420.618837 where: bonds (distance) C4'-P energy: -70.559 bonds (distance) P-C4' energy: -84.359 flat angles C4'-P-C4' energy: -92.612 flat angles P-C4'-P energy: -58.708 tors. eta vs tors. theta energy: -114.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1269.038085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.038085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.038085 (E_RNA) where: Base-Base interactions energy: -877.605 where: short stacking energy: -384.003 Base-Backbone interact. energy: -2.628 local terms energy: -388.805013 where: bonds (distance) C4'-P energy: -64.955 bonds (distance) P-C4' energy: -75.112 flat angles C4'-P-C4' energy: -81.737 flat angles P-C4'-P energy: -55.282 tors. eta vs tors. theta energy: -111.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1247.476109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.476109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.476109 (E_RNA) where: Base-Base interactions energy: -835.769 where: short stacking energy: -381.211 Base-Backbone interact. energy: -1.621 local terms energy: -410.085382 where: bonds (distance) C4'-P energy: -72.045 bonds (distance) P-C4' energy: -79.225 flat angles C4'-P-C4' energy: -84.756 flat angles P-C4'-P energy: -56.808 tors. eta vs tors. theta energy: -117.252 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: 8 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1165.648315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.648315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.648315 (E_RNA) where: Base-Base interactions energy: -801.394 where: short stacking energy: -342.687 Base-Backbone interact. energy: -1.919 local terms energy: -362.335093 where: bonds (distance) C4'-P energy: -75.195 bonds (distance) P-C4' energy: -75.604 flat angles C4'-P-C4' energy: -73.427 flat angles P-C4'-P energy: -54.064 tors. eta vs tors. theta energy: -84.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1112.761940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.761940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.761940 (E_RNA) where: Base-Base interactions energy: -781.429 where: short stacking energy: -316.410 Base-Backbone interact. energy: -1.241 local terms energy: -330.092039 where: bonds (distance) C4'-P energy: -59.906 bonds (distance) P-C4' energy: -62.377 flat angles C4'-P-C4' energy: -86.345 flat angles P-C4'-P energy: -41.961 tors. eta vs tors. theta energy: -79.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -937.097803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.097803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.097803 (E_RNA) where: Base-Base interactions energy: -593.716 where: short stacking energy: -285.376 Base-Backbone interact. energy: 3.782 local terms energy: -347.163995 where: bonds (distance) C4'-P energy: -66.867 bonds (distance) P-C4' energy: -81.285 flat angles C4'-P-C4' energy: -72.928 flat angles P-C4'-P energy: -55.944 tors. eta vs tors. theta energy: -70.140 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: 7 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -820.805875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.805875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.805875 (E_RNA) where: Base-Base interactions energy: -534.844 where: short stacking energy: -256.131 Base-Backbone interact. energy: -2.508 local terms energy: -283.453556 where: bonds (distance) C4'-P energy: -57.373 bonds (distance) P-C4' energy: -62.782 flat angles C4'-P-C4' energy: -68.964 flat angles P-C4'-P energy: -38.366 tors. eta vs tors. theta energy: -55.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -546.195919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.195919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.195919 (E_RNA) where: Base-Base interactions energy: -305.158 where: short stacking energy: -150.411 Base-Backbone interact. energy: -1.678 local terms energy: -239.359809 where: bonds (distance) C4'-P energy: -69.239 bonds (distance) P-C4' energy: -70.807 flat angles C4'-P-C4' energy: -56.818 flat angles P-C4'-P energy: -29.729 tors. eta vs tors. theta energy: -12.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -501.915788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.915788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.915788 (E_RNA) where: Base-Base interactions energy: -269.470 where: short stacking energy: -161.445 Base-Backbone interact. energy: -0.754 local terms energy: -231.691699 where: bonds (distance) C4'-P energy: -54.237 bonds (distance) P-C4' energy: -72.284 flat angles C4'-P-C4' energy: -57.849 flat angles P-C4'-P energy: -28.201 tors. eta vs tors. theta energy: -19.121 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: 9 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1453.948255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.948255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.948255 (E_RNA) where: Base-Base interactions energy: -1015.935 where: short stacking energy: -438.475 Base-Backbone interact. energy: -1.070 local terms energy: -436.943690 where: bonds (distance) C4'-P energy: -82.008 bonds (distance) P-C4' energy: -67.782 flat angles C4'-P-C4' energy: -85.456 flat angles P-C4'-P energy: -65.806 tors. eta vs tors. theta energy: -135.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1329.454291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.454291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.454291 (E_RNA) where: Base-Base interactions energy: -912.332 where: short stacking energy: -390.648 Base-Backbone interact. energy: -3.306 local terms energy: -413.815896 where: bonds (distance) C4'-P energy: -75.872 bonds (distance) P-C4' energy: -85.512 flat angles C4'-P-C4' energy: -92.524 flat angles P-C4'-P energy: -49.789 tors. eta vs tors. theta energy: -110.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1263.512695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.512695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.512695 (E_RNA) where: Base-Base interactions energy: -863.677 where: short stacking energy: -356.866 Base-Backbone interact. energy: 2.492 local terms energy: -402.327272 where: bonds (distance) C4'-P energy: -73.112 bonds (distance) P-C4' energy: -79.194 flat angles C4'-P-C4' energy: -90.835 flat angles P-C4'-P energy: -56.957 tors. eta vs tors. theta energy: -102.230 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: 6 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1247.006762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.006762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.006762 (E_RNA) where: Base-Base interactions energy: -857.456 where: short stacking energy: -401.665 Base-Backbone interact. energy: -0.180 local terms energy: -389.370104 where: bonds (distance) C4'-P energy: -63.792 bonds (distance) P-C4' energy: -69.566 flat angles C4'-P-C4' energy: -82.127 flat angles P-C4'-P energy: -52.267 tors. eta vs tors. theta energy: -121.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1164.105989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.105989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.105989 (E_RNA) where: Base-Base interactions energy: -806.570 where: short stacking energy: -320.396 Base-Backbone interact. energy: 3.349 local terms energy: -360.885425 where: bonds (distance) C4'-P energy: -73.012 bonds (distance) P-C4' energy: -80.930 flat angles C4'-P-C4' energy: -70.726 flat angles P-C4'-P energy: -52.677 tors. eta vs tors. theta energy: -83.540 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: 389 Temperature: 1.150000 Total energy: -1133.167039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.167039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.167039 (E_RNA) where: Base-Base interactions energy: -792.511 where: short stacking energy: -343.413 Base-Backbone interact. energy: -1.765 local terms energy: -338.890723 where: bonds (distance) C4'-P energy: -65.258 bonds (distance) P-C4' energy: -59.189 flat angles C4'-P-C4' energy: -77.424 flat angles P-C4'-P energy: -45.275 tors. eta vs tors. theta energy: -91.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -932.569506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.569506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.569506 (E_RNA) where: Base-Base interactions energy: -593.754 where: short stacking energy: -266.737 Base-Backbone interact. energy: -0.544 local terms energy: -338.271999 where: bonds (distance) C4'-P energy: -79.202 bonds (distance) P-C4' energy: -69.630 flat angles C4'-P-C4' energy: -82.720 flat angles P-C4'-P energy: -45.317 tors. eta vs tors. theta energy: -61.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -744.893129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.893129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.893129 (E_RNA) where: Base-Base interactions energy: -463.418 where: short stacking energy: -208.052 Base-Backbone interact. energy: -1.791 local terms energy: -279.683498 where: bonds (distance) C4'-P energy: -67.625 bonds (distance) P-C4' energy: -71.063 flat angles C4'-P-C4' energy: -59.479 flat angles P-C4'-P energy: -44.033 tors. eta vs tors. theta energy: -37.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -541.897926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.897926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.897926 (E_RNA) where: Base-Base interactions energy: -317.362 where: short stacking energy: -156.827 Base-Backbone interact. energy: -0.745 local terms energy: -223.791432 where: bonds (distance) C4'-P energy: -70.736 bonds (distance) P-C4' energy: -61.179 flat angles C4'-P-C4' energy: -55.280 flat angles P-C4'-P energy: -25.449 tors. eta vs tors. theta energy: -11.148 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: 10, replica: 1 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -484.181651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.181651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.181651 (E_RNA) where: Base-Base interactions energy: -271.879 where: short stacking energy: -141.400 Base-Backbone interact. energy: 3.881 local terms energy: -216.184076 where: bonds (distance) C4'-P energy: -69.463 bonds (distance) P-C4' energy: -54.446 flat angles C4'-P-C4' energy: -46.463 flat angles P-C4'-P energy: -39.731 tors. eta vs tors. theta energy: -6.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1446.474192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.474192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.474192 (E_RNA) where: Base-Base interactions energy: -989.224 where: short stacking energy: -420.117 Base-Backbone interact. energy: -0.701 local terms energy: -456.549676 where: bonds (distance) C4'-P energy: -86.091 bonds (distance) P-C4' energy: -83.669 flat angles C4'-P-C4' energy: -88.893 flat angles P-C4'-P energy: -64.532 tors. eta vs tors. theta energy: -133.365 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: 2, replica: 10 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1336.397698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.397698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.397698 (E_RNA) where: Base-Base interactions energy: -946.565 where: short stacking energy: -380.470 Base-Backbone interact. energy: -0.054 local terms energy: -389.779147 where: bonds (distance) C4'-P energy: -65.793 bonds (distance) P-C4' energy: -85.093 flat angles C4'-P-C4' energy: -78.161 flat angles P-C4'-P energy: -56.190 tors. eta vs tors. theta energy: -104.541 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: 3, replica: 6 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1278.245596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.245596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.245596 (E_RNA) where: Base-Base interactions energy: -869.903 where: short stacking energy: -378.222 Base-Backbone interact. energy: -0.322 local terms energy: -408.020900 where: bonds (distance) C4'-P energy: -82.879 bonds (distance) P-C4' energy: -73.228 flat angles C4'-P-C4' energy: -83.289 flat angles P-C4'-P energy: -50.363 tors. eta vs tors. theta energy: -118.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1247.334695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.334695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.334695 (E_RNA) where: Base-Base interactions energy: -862.175 where: short stacking energy: -366.987 Base-Backbone interact. energy: 0.115 local terms energy: -385.274566 where: bonds (distance) C4'-P energy: -75.477 bonds (distance) P-C4' energy: -69.226 flat angles C4'-P-C4' energy: -88.071 flat angles P-C4'-P energy: -50.434 tors. eta vs tors. theta energy: -102.066 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: 3 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1168.763655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.763655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.763655 (E_RNA) where: Base-Base interactions energy: -798.596 where: short stacking energy: -326.963 Base-Backbone interact. energy: -2.120 local terms energy: -368.047496 where: bonds (distance) C4'-P energy: -60.222 bonds (distance) P-C4' energy: -79.200 flat angles C4'-P-C4' energy: -81.878 flat angles P-C4'-P energy: -54.687 tors. eta vs tors. theta energy: -92.061 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: 6, replica: 8 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1090.231795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.231795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.231795 (E_RNA) where: Base-Base interactions energy: -733.615 where: short stacking energy: -299.792 Base-Backbone interact. energy: -2.722 local terms energy: -353.894513 where: bonds (distance) C4'-P energy: -63.519 bonds (distance) P-C4' energy: -81.528 flat angles C4'-P-C4' energy: -80.564 flat angles P-C4'-P energy: -56.408 tors. eta vs tors. theta energy: -71.876 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: 4 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -932.885642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.885642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.885642 (E_RNA) where: Base-Base interactions energy: -602.602 where: short stacking energy: -274.054 Base-Backbone interact. energy: -0.534 local terms energy: -329.749719 where: bonds (distance) C4'-P energy: -64.639 bonds (distance) P-C4' energy: -81.609 flat angles C4'-P-C4' energy: -72.995 flat angles P-C4'-P energy: -46.526 tors. eta vs tors. theta energy: -63.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -752.148176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.148176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.148176 (E_RNA) where: Base-Base interactions energy: -456.092 where: short stacking energy: -223.759 Base-Backbone interact. energy: 0.570 local terms energy: -296.626136 where: bonds (distance) C4'-P energy: -74.952 bonds (distance) P-C4' energy: -58.633 flat angles C4'-P-C4' energy: -65.153 flat angles P-C4'-P energy: -46.447 tors. eta vs tors. theta energy: -51.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -541.113575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.113575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.113575 (E_RNA) where: Base-Base interactions energy: -308.614 where: short stacking energy: -156.187 Base-Backbone interact. energy: 0.334 local terms energy: -232.833519 where: bonds (distance) C4'-P energy: -53.590 bonds (distance) P-C4' energy: -62.922 flat angles C4'-P-C4' energy: -57.341 flat angles P-C4'-P energy: -41.437 tors. eta vs tors. theta energy: -17.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -480.234843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.234843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.234843 (E_RNA) where: Base-Base interactions energy: -232.055 where: short stacking energy: -133.569 Base-Backbone interact. energy: -1.268 local terms energy: -246.912538 where: bonds (distance) C4'-P energy: -67.393 bonds (distance) P-C4' energy: -82.470 flat angles C4'-P-C4' energy: -43.173 flat angles P-C4'-P energy: -40.523 tors. eta vs tors. theta energy: -13.353 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: 9 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1433.492003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.492003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.492003 (E_RNA) where: Base-Base interactions energy: -1005.992 where: short stacking energy: -432.333 Base-Backbone interact. energy: -2.844 local terms energy: -424.655832 where: bonds (distance) C4'-P energy: -67.095 bonds (distance) P-C4' energy: -66.443 flat angles C4'-P-C4' energy: -90.779 flat angles P-C4'-P energy: -67.786 tors. eta vs tors. theta energy: -132.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1346.982856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.982856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.982856 (E_RNA) where: Base-Base interactions energy: -926.515 where: short stacking energy: -390.938 Base-Backbone interact. energy: 0.654 local terms energy: -421.121572 where: bonds (distance) C4'-P energy: -79.093 bonds (distance) P-C4' energy: -75.553 flat angles C4'-P-C4' energy: -96.954 flat angles P-C4'-P energy: -57.483 tors. eta vs tors. theta energy: -112.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1305.652093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.652093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.652093 (E_RNA) where: Base-Base interactions energy: -882.289 where: short stacking energy: -413.947 Base-Backbone interact. energy: -3.096 local terms energy: -420.267286 where: bonds (distance) C4'-P energy: -64.261 bonds (distance) P-C4' energy: -81.484 flat angles C4'-P-C4' energy: -89.286 flat angles P-C4'-P energy: -61.648 tors. eta vs tors. theta energy: -123.588 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: 3 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1228.013385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.013385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.013385 (E_RNA) where: Base-Base interactions energy: -834.196 where: short stacking energy: -366.994 Base-Backbone interact. energy: -0.051 local terms energy: -393.766359 where: bonds (distance) C4'-P energy: -77.042 bonds (distance) P-C4' energy: -81.477 flat angles C4'-P-C4' energy: -82.082 flat angles P-C4'-P energy: -48.358 tors. eta vs tors. theta energy: -104.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1226.986970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.986970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.986970 (E_RNA) where: Base-Base interactions energy: -834.911 where: short stacking energy: -364.419 Base-Backbone interact. energy: -1.309 local terms energy: -390.766650 where: bonds (distance) C4'-P energy: -69.214 bonds (distance) P-C4' energy: -76.468 flat angles C4'-P-C4' energy: -77.242 flat angles P-C4'-P energy: -60.962 tors. eta vs tors. theta energy: -106.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1076.266584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.266584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.266584 (E_RNA) where: Base-Base interactions energy: -748.819 where: short stacking energy: -281.720 Base-Backbone interact. energy: -2.081 local terms energy: -325.367023 where: bonds (distance) C4'-P energy: -64.151 bonds (distance) P-C4' energy: -74.114 flat angles C4'-P-C4' energy: -72.817 flat angles P-C4'-P energy: -43.080 tors. eta vs tors. theta energy: -71.205 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: 4 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -938.325215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.325215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.325215 (E_RNA) where: Base-Base interactions energy: -600.991 where: short stacking energy: -299.526 Base-Backbone interact. energy: -0.237 local terms energy: -337.096525 where: bonds (distance) C4'-P energy: -78.575 bonds (distance) P-C4' energy: -68.134 flat angles C4'-P-C4' energy: -73.216 flat angles P-C4'-P energy: -41.876 tors. eta vs tors. theta energy: -75.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -737.359111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.359111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.359111 (E_RNA) where: Base-Base interactions energy: -473.361 where: short stacking energy: -215.487 Base-Backbone interact. energy: 1.276 local terms energy: -265.274537 where: bonds (distance) C4'-P energy: -59.958 bonds (distance) P-C4' energy: -56.952 flat angles C4'-P-C4' energy: -61.552 flat angles P-C4'-P energy: -43.893 tors. eta vs tors. theta energy: -42.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -577.005858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.005858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.005858 (E_RNA) where: Base-Base interactions energy: -322.047 where: short stacking energy: -165.933 Base-Backbone interact. energy: -1.158 local terms energy: -253.800580 where: bonds (distance) C4'-P energy: -55.830 bonds (distance) P-C4' energy: -79.029 flat angles C4'-P-C4' energy: -60.385 flat angles P-C4'-P energy: -34.165 tors. eta vs tors. theta energy: -24.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -491.378404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.378404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.378404 (E_RNA) where: Base-Base interactions energy: -262.027 where: short stacking energy: -131.069 Base-Backbone interact. energy: 2.570 local terms energy: -231.920573 where: bonds (distance) C4'-P energy: -61.364 bonds (distance) P-C4' energy: -73.762 flat angles C4'-P-C4' energy: -59.867 flat angles P-C4'-P energy: -23.494 tors. eta vs tors. theta energy: -13.434 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: 9 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1436.386401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.386401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.386401 (E_RNA) where: Base-Base interactions energy: -999.180 where: short stacking energy: -438.675 Base-Backbone interact. energy: -2.033 local terms energy: -435.172613 where: bonds (distance) C4'-P energy: -67.193 bonds (distance) P-C4' energy: -83.669 flat angles C4'-P-C4' energy: -91.998 flat angles P-C4'-P energy: -60.448 tors. eta vs tors. theta energy: -131.865 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: 2, replica: 10 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1327.036075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.036075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.036075 (E_RNA) where: Base-Base interactions energy: -918.540 where: short stacking energy: -385.356 Base-Backbone interact. energy: -0.952 local terms energy: -407.544137 where: bonds (distance) C4'-P energy: -71.527 bonds (distance) P-C4' energy: -78.986 flat angles C4'-P-C4' energy: -90.903 flat angles P-C4'-P energy: -60.055 tors. eta vs tors. theta energy: -106.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1340.972928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.972928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.972928 (E_RNA) where: Base-Base interactions energy: -916.530 where: short stacking energy: -419.973 Base-Backbone interact. energy: 1.205 local terms energy: -425.648048 where: bonds (distance) C4'-P energy: -74.754 bonds (distance) P-C4' energy: -71.582 flat angles C4'-P-C4' energy: -91.056 flat angles P-C4'-P energy: -67.611 tors. eta vs tors. theta energy: -120.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1239.782668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.782668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.782668 (E_RNA) where: Base-Base interactions energy: -859.110 where: short stacking energy: -346.554 Base-Backbone interact. energy: -1.684 local terms energy: -378.988496 where: bonds (distance) C4'-P energy: -74.860 bonds (distance) P-C4' energy: -72.437 flat angles C4'-P-C4' energy: -82.738 flat angles P-C4'-P energy: -46.779 tors. eta vs tors. theta energy: -102.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1228.049543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.049543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.049543 (E_RNA) where: Base-Base interactions energy: -863.259 where: short stacking energy: -351.712 Base-Backbone interact. energy: -2.458 local terms energy: -362.331956 where: bonds (distance) C4'-P energy: -64.664 bonds (distance) P-C4' energy: -79.037 flat angles C4'-P-C4' energy: -73.719 flat angles P-C4'-P energy: -46.410 tors. eta vs tors. theta energy: -98.503 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: 8 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1080.155224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.155224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.155224 (E_RNA) where: Base-Base interactions energy: -764.125 where: short stacking energy: -314.631 Base-Backbone interact. energy: -1.852 local terms energy: -314.177547 where: bonds (distance) C4'-P energy: -67.366 bonds (distance) P-C4' energy: -63.037 flat angles C4'-P-C4' energy: -69.137 flat angles P-C4'-P energy: -39.556 tors. eta vs tors. theta energy: -75.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -952.424327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.424327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.424327 (E_RNA) where: Base-Base interactions energy: -628.593 where: short stacking energy: -295.320 Base-Backbone interact. energy: -0.766 local terms energy: -323.065516 where: bonds (distance) C4'-P energy: -62.397 bonds (distance) P-C4' energy: -62.115 flat angles C4'-P-C4' energy: -75.588 flat angles P-C4'-P energy: -43.155 tors. eta vs tors. theta energy: -79.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -765.035973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.035973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.035973 (E_RNA) where: Base-Base interactions energy: -473.033 where: short stacking energy: -221.733 Base-Backbone interact. energy: -1.715 local terms energy: -290.288899 where: bonds (distance) C4'-P energy: -67.964 bonds (distance) P-C4' energy: -71.174 flat angles C4'-P-C4' energy: -62.551 flat angles P-C4'-P energy: -50.289 tors. eta vs tors. theta energy: -38.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -597.434156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.434156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.434156 (E_RNA) where: Base-Base interactions energy: -343.070 where: short stacking energy: -160.161 Base-Backbone interact. energy: -1.583 local terms energy: -252.780780 where: bonds (distance) C4'-P energy: -56.843 bonds (distance) P-C4' energy: -71.202 flat angles C4'-P-C4' energy: -69.487 flat angles P-C4'-P energy: -37.060 tors. eta vs tors. theta energy: -18.189 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: 392 Temperature: 1.350000 Total energy: -475.317152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.317152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.317152 (E_RNA) where: Base-Base interactions energy: -268.827 where: short stacking energy: -162.879 Base-Backbone interact. energy: 3.834 local terms energy: -210.324193 where: bonds (distance) C4'-P energy: -55.710 bonds (distance) P-C4' energy: -59.938 flat angles C4'-P-C4' energy: -57.789 flat angles P-C4'-P energy: -33.446 tors. eta vs tors. theta energy: -3.441 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: 9 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1440.429403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.429403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.429403 (E_RNA) where: Base-Base interactions energy: -997.751 where: short stacking energy: -446.372 Base-Backbone interact. energy: -0.520 local terms energy: -442.158051 where: bonds (distance) C4'-P energy: -71.746 bonds (distance) P-C4' energy: -75.907 flat angles C4'-P-C4' energy: -95.356 flat angles P-C4'-P energy: -61.564 tors. eta vs tors. theta energy: -137.585 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: 6 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1368.168373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.168373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.168373 (E_RNA) where: Base-Base interactions energy: -948.014 where: short stacking energy: -411.319 Base-Backbone interact. energy: -2.989 local terms energy: -417.165977 where: bonds (distance) C4'-P energy: -77.591 bonds (distance) P-C4' energy: -73.828 flat angles C4'-P-C4' energy: -81.539 flat angles P-C4'-P energy: -62.619 tors. eta vs tors. theta energy: -121.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1314.601407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.601407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.601407 (E_RNA) where: Base-Base interactions energy: -909.475 where: short stacking energy: -384.831 Base-Backbone interact. energy: 0.610 local terms energy: -405.735947 where: bonds (distance) C4'-P energy: -75.174 bonds (distance) P-C4' energy: -80.117 flat angles C4'-P-C4' energy: -89.444 flat angles P-C4'-P energy: -56.411 tors. eta vs tors. theta energy: -104.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1219.800599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.800599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.800599 (E_RNA) where: Base-Base interactions energy: -828.106 where: short stacking energy: -355.521 Base-Backbone interact. energy: -1.449 local terms energy: -390.246047 where: bonds (distance) C4'-P energy: -72.317 bonds (distance) P-C4' energy: -75.762 flat angles C4'-P-C4' energy: -83.549 flat angles P-C4'-P energy: -55.168 tors. eta vs tors. theta energy: -103.450 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: 5 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1223.625116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.625116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.625116 (E_RNA) where: Base-Base interactions energy: -818.302 where: short stacking energy: -363.474 Base-Backbone interact. energy: 1.706 local terms energy: -407.029206 where: bonds (distance) C4'-P energy: -76.202 bonds (distance) P-C4' energy: -80.835 flat angles C4'-P-C4' energy: -94.084 flat angles P-C4'-P energy: -54.295 tors. eta vs tors. theta energy: -101.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1122.186249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.186249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.186249 (E_RNA) where: Base-Base interactions energy: -763.247 where: short stacking energy: -315.465 Base-Backbone interact. energy: 1.152 local terms energy: -360.091401 where: bonds (distance) C4'-P energy: -71.264 bonds (distance) P-C4' energy: -84.433 flat angles C4'-P-C4' energy: -78.415 flat angles P-C4'-P energy: -43.646 tors. eta vs tors. theta energy: -82.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -919.520768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.520768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.520768 (E_RNA) where: Base-Base interactions energy: -580.011 where: short stacking energy: -258.545 Base-Backbone interact. energy: -2.787 local terms energy: -336.723437 where: bonds (distance) C4'-P energy: -75.930 bonds (distance) P-C4' energy: -76.545 flat angles C4'-P-C4' energy: -70.101 flat angles P-C4'-P energy: -49.032 tors. eta vs tors. theta energy: -65.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -715.445072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.445072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.445072 (E_RNA) where: Base-Base interactions energy: -415.302 where: short stacking energy: -195.414 Base-Backbone interact. energy: 0.607 local terms energy: -300.749853 where: bonds (distance) C4'-P energy: -76.869 bonds (distance) P-C4' energy: -78.836 flat angles C4'-P-C4' energy: -74.397 flat angles P-C4'-P energy: -36.592 tors. eta vs tors. theta energy: -34.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -595.688050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.688050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.688050 (E_RNA) where: Base-Base interactions energy: -334.297 where: short stacking energy: -172.527 Base-Backbone interact. energy: -0.960 local terms energy: -260.430967 where: bonds (distance) C4'-P energy: -56.712 bonds (distance) P-C4' energy: -71.215 flat angles C4'-P-C4' energy: -67.648 flat angles P-C4'-P energy: -44.625 tors. eta vs tors. theta energy: -20.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -483.682445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.682445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.682445 (E_RNA) where: Base-Base interactions energy: -251.222 where: short stacking energy: -141.030 Base-Backbone interact. energy: -1.734 local terms energy: -230.726319 where: bonds (distance) C4'-P energy: -67.808 bonds (distance) P-C4' energy: -66.075 flat angles C4'-P-C4' energy: -51.681 flat angles P-C4'-P energy: -44.002 tors. eta vs tors. theta energy: -1.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1426.311200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.311200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.311200 (E_RNA) where: Base-Base interactions energy: -981.662 where: short stacking energy: -433.296 Base-Backbone interact. energy: -1.749 local terms energy: -442.899953 where: bonds (distance) C4'-P energy: -77.853 bonds (distance) P-C4' energy: -70.746 flat angles C4'-P-C4' energy: -93.247 flat angles P-C4'-P energy: -64.351 tors. eta vs tors. theta energy: -136.702 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: 6 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1373.063205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.063205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.063205 (E_RNA) where: Base-Base interactions energy: -961.697 where: short stacking energy: -415.693 Base-Backbone interact. energy: -3.248 local terms energy: -408.118521 where: bonds (distance) C4'-P energy: -74.392 bonds (distance) P-C4' energy: -80.238 flat angles C4'-P-C4' energy: -78.727 flat angles P-C4'-P energy: -60.317 tors. eta vs tors. theta energy: -114.444 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: 10 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1314.342107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.342107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.342107 (E_RNA) where: Base-Base interactions energy: -885.123 where: short stacking energy: -386.286 Base-Backbone interact. energy: 2.965 local terms energy: -432.184802 where: bonds (distance) C4'-P energy: -85.365 bonds (distance) P-C4' energy: -76.109 flat angles C4'-P-C4' energy: -92.241 flat angles P-C4'-P energy: -72.046 tors. eta vs tors. theta energy: -106.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1231.680040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.680040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.680040 (E_RNA) where: Base-Base interactions energy: -850.552 where: short stacking energy: -369.050 Base-Backbone interact. energy: -0.905 local terms energy: -380.223132 where: bonds (distance) C4'-P energy: -73.091 bonds (distance) P-C4' energy: -59.135 flat angles C4'-P-C4' energy: -89.921 flat angles P-C4'-P energy: -48.958 tors. eta vs tors. theta energy: -109.119 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: 5 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1219.786633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.786633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.786633 (E_RNA) where: Base-Base interactions energy: -833.384 where: short stacking energy: -364.930 Base-Backbone interact. energy: -0.155 local terms energy: -386.247471 where: bonds (distance) C4'-P energy: -71.812 bonds (distance) P-C4' energy: -66.547 flat angles C4'-P-C4' energy: -84.068 flat angles P-C4'-P energy: -58.879 tors. eta vs tors. theta energy: -104.941 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: 8 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1123.191418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.191418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.191418 (E_RNA) where: Base-Base interactions energy: -771.845 where: short stacking energy: -329.796 Base-Backbone interact. energy: -2.240 local terms energy: -349.107088 where: bonds (distance) C4'-P energy: -59.450 bonds (distance) P-C4' energy: -76.465 flat angles C4'-P-C4' energy: -80.483 flat angles P-C4'-P energy: -46.675 tors. eta vs tors. theta energy: -86.034 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: 4 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -917.041954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.041954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.041954 (E_RNA) where: Base-Base interactions energy: -618.178 where: short stacking energy: -280.538 Base-Backbone interact. energy: -0.387 local terms energy: -298.476433 where: bonds (distance) C4'-P energy: -54.391 bonds (distance) P-C4' energy: -55.220 flat angles C4'-P-C4' energy: -76.403 flat angles P-C4'-P energy: -42.686 tors. eta vs tors. theta energy: -69.776 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: 7 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -730.620830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.620830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.620830 (E_RNA) where: Base-Base interactions energy: -443.106 where: short stacking energy: -203.650 Base-Backbone interact. energy: -1.982 local terms energy: -285.532249 where: bonds (distance) C4'-P energy: -68.829 bonds (distance) P-C4' energy: -67.949 flat angles C4'-P-C4' energy: -55.215 flat angles P-C4'-P energy: -51.091 tors. eta vs tors. theta energy: -42.448 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: 2 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -574.711252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.711252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.711252 (E_RNA) where: Base-Base interactions energy: -347.092 where: short stacking energy: -183.637 Base-Backbone interact. energy: -1.662 local terms energy: -225.956987 where: bonds (distance) C4'-P energy: -50.676 bonds (distance) P-C4' energy: -67.890 flat angles C4'-P-C4' energy: -60.305 flat angles P-C4'-P energy: -23.929 tors. eta vs tors. theta energy: -23.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -469.771465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.771465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.771465 (E_RNA) where: Base-Base interactions energy: -246.572 where: short stacking energy: -140.176 Base-Backbone interact. energy: 2.415 local terms energy: -225.613700 where: bonds (distance) C4'-P energy: -64.630 bonds (distance) P-C4' energy: -66.868 flat angles C4'-P-C4' energy: -48.105 flat angles P-C4'-P energy: -36.936 tors. eta vs tors. theta energy: -9.075 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: 9 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1427.357484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.357484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.357484 (E_RNA) where: Base-Base interactions energy: -977.562 where: short stacking energy: -427.628 Base-Backbone interact. energy: -1.966 local terms energy: -447.829434 where: bonds (distance) C4'-P energy: -74.484 bonds (distance) P-C4' energy: -84.395 flat angles C4'-P-C4' energy: -94.203 flat angles P-C4'-P energy: -64.658 tors. eta vs tors. theta energy: -130.089 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: 6 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1378.171422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.171422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.171422 (E_RNA) where: Base-Base interactions energy: -944.110 where: short stacking energy: -411.886 Base-Backbone interact. energy: -1.671 local terms energy: -432.390942 where: bonds (distance) C4'-P energy: -86.258 bonds (distance) P-C4' energy: -87.747 flat angles C4'-P-C4' energy: -82.449 flat angles P-C4'-P energy: -58.938 tors. eta vs tors. theta energy: -117.000 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: 10 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1295.525064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.525064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.525064 (E_RNA) where: Base-Base interactions energy: -888.904 where: short stacking energy: -371.717 Base-Backbone interact. energy: -0.134 local terms energy: -406.486605 where: bonds (distance) C4'-P energy: -75.267 bonds (distance) P-C4' energy: -78.444 flat angles C4'-P-C4' energy: -92.299 flat angles P-C4'-P energy: -56.436 tors. eta vs tors. theta energy: -104.040 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: 3 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1203.124982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.124982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.124982 (E_RNA) where: Base-Base interactions energy: -824.564 where: short stacking energy: -349.523 Base-Backbone interact. energy: -1.452 local terms energy: -377.108486 where: bonds (distance) C4'-P energy: -73.049 bonds (distance) P-C4' energy: -70.000 flat angles C4'-P-C4' energy: -77.954 flat angles P-C4'-P energy: -59.605 tors. eta vs tors. theta energy: -96.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1213.955741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.955741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.955741 (E_RNA) where: Base-Base interactions energy: -811.315 where: short stacking energy: -349.525 Base-Backbone interact. energy: -2.526 local terms energy: -400.115511 where: bonds (distance) C4'-P energy: -76.024 bonds (distance) P-C4' energy: -83.450 flat angles C4'-P-C4' energy: -75.990 flat angles P-C4'-P energy: -53.968 tors. eta vs tors. theta energy: -110.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1140.685312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.685312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.685312 (E_RNA) where: Base-Base interactions energy: -789.507 where: short stacking energy: -335.498 Base-Backbone interact. energy: -1.776 local terms energy: -349.402617 where: bonds (distance) C4'-P energy: -61.860 bonds (distance) P-C4' energy: -73.473 flat angles C4'-P-C4' energy: -74.225 flat angles P-C4'-P energy: -51.399 tors. eta vs tors. theta energy: -88.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -896.133469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.133469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.133469 (E_RNA) where: Base-Base interactions energy: -562.957 where: short stacking energy: -275.276 Base-Backbone interact. energy: 1.412 local terms energy: -334.589281 where: bonds (distance) C4'-P energy: -69.593 bonds (distance) P-C4' energy: -68.708 flat angles C4'-P-C4' energy: -64.768 flat angles P-C4'-P energy: -55.034 tors. eta vs tors. theta energy: -76.485 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: 8, replica: 7 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -729.140566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.140566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.140566 (E_RNA) where: Base-Base interactions energy: -450.334 where: short stacking energy: -221.899 Base-Backbone interact. energy: 0.193 local terms energy: -278.999613 where: bonds (distance) C4'-P energy: -63.219 bonds (distance) P-C4' energy: -74.692 flat angles C4'-P-C4' energy: -60.297 flat angles P-C4'-P energy: -47.778 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: 9, replica: 2 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -589.865403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.865403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.865403 (E_RNA) where: Base-Base interactions energy: -331.793 where: short stacking energy: -179.022 Base-Backbone interact. energy: -1.696 local terms energy: -256.376169 where: bonds (distance) C4'-P energy: -74.036 bonds (distance) P-C4' energy: -54.789 flat angles C4'-P-C4' energy: -58.148 flat angles P-C4'-P energy: -48.878 tors. eta vs tors. theta energy: -20.525 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: 10, replica: 1 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -499.466570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.466570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.466570 (E_RNA) where: Base-Base interactions energy: -254.432 where: short stacking energy: -142.401 Base-Backbone interact. energy: 5.631 local terms energy: -250.665637 where: bonds (distance) C4'-P energy: -69.126 bonds (distance) P-C4' energy: -70.953 flat angles C4'-P-C4' energy: -57.390 flat angles P-C4'-P energy: -46.900 tors. eta vs tors. theta energy: -6.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1417.226997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.226997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.226997 (E_RNA) where: Base-Base interactions energy: -968.407 where: short stacking energy: -446.880 Base-Backbone interact. energy: -3.148 local terms energy: -445.672613 where: bonds (distance) C4'-P energy: -74.485 bonds (distance) P-C4' energy: -78.564 flat angles C4'-P-C4' energy: -87.571 flat angles P-C4'-P energy: -66.640 tors. eta vs tors. theta energy: -138.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1363.589260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.589260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.589260 (E_RNA) where: Base-Base interactions energy: -937.601 where: short stacking energy: -409.209 Base-Backbone interact. energy: -1.216 local terms energy: -424.772067 where: bonds (distance) C4'-P energy: -67.744 bonds (distance) P-C4' energy: -88.609 flat angles C4'-P-C4' energy: -84.927 flat angles P-C4'-P energy: -61.431 tors. eta vs tors. theta energy: -122.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1320.654478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.654478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.654478 (E_RNA) where: Base-Base interactions energy: -918.706 where: short stacking energy: -398.411 Base-Backbone interact. energy: -1.041 local terms energy: -400.907418 where: bonds (distance) C4'-P energy: -80.179 bonds (distance) P-C4' energy: -65.995 flat angles C4'-P-C4' energy: -82.265 flat angles P-C4'-P energy: -59.205 tors. eta vs tors. theta energy: -113.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1209.922818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.922818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.922818 (E_RNA) where: Base-Base interactions energy: -835.816 where: short stacking energy: -362.523 Base-Backbone interact. energy: -1.296 local terms energy: -372.810758 where: bonds (distance) C4'-P energy: -56.621 bonds (distance) P-C4' energy: -72.739 flat angles C4'-P-C4' energy: -95.227 flat angles P-C4'-P energy: -51.208 tors. eta vs tors. theta energy: -97.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1209.607096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.607096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.607096 (E_RNA) where: Base-Base interactions energy: -829.611 where: short stacking energy: -361.655 Base-Backbone interact. energy: -3.142 local terms energy: -376.853958 where: bonds (distance) C4'-P energy: -63.924 bonds (distance) P-C4' energy: -67.708 flat angles C4'-P-C4' energy: -83.227 flat angles P-C4'-P energy: -56.430 tors. eta vs tors. theta energy: -105.566 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: 8 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1086.893693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.893693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.893693 (E_RNA) where: Base-Base interactions energy: -725.884 where: short stacking energy: -315.684 Base-Backbone interact. energy: 0.533 local terms energy: -361.543178 where: bonds (distance) C4'-P energy: -69.591 bonds (distance) P-C4' energy: -79.051 flat angles C4'-P-C4' energy: -80.603 flat angles P-C4'-P energy: -48.816 tors. eta vs tors. theta energy: -83.482 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: 4 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -885.101041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.101041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.101041 (E_RNA) where: Base-Base interactions energy: -563.729 where: short stacking energy: -258.061 Base-Backbone interact. energy: -2.345 local terms energy: -319.027175 where: bonds (distance) C4'-P energy: -66.572 bonds (distance) P-C4' energy: -68.007 flat angles C4'-P-C4' energy: -74.590 flat angles P-C4'-P energy: -42.288 tors. eta vs tors. theta energy: -67.569 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: 7 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -782.247186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.247186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.247186 (E_RNA) where: Base-Base interactions energy: -486.003 where: short stacking energy: -235.048 Base-Backbone interact. energy: -1.361 local terms energy: -294.883176 where: bonds (distance) C4'-P energy: -55.233 bonds (distance) P-C4' energy: -72.620 flat angles C4'-P-C4' energy: -72.181 flat angles P-C4'-P energy: -44.148 tors. eta vs tors. theta energy: -50.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -612.269415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.269415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.269415 (E_RNA) where: Base-Base interactions energy: -358.097 where: short stacking energy: -199.472 Base-Backbone interact. energy: 1.682 local terms energy: -255.854722 where: bonds (distance) C4'-P energy: -66.436 bonds (distance) P-C4' energy: -66.208 flat angles C4'-P-C4' energy: -70.585 flat angles P-C4'-P energy: -26.768 tors. eta vs tors. theta energy: -25.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -455.564559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.564559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.564559 (E_RNA) where: Base-Base interactions energy: -210.646 where: short stacking energy: -136.506 Base-Backbone interact. energy: 0.628 local terms energy: -245.546011 where: bonds (distance) C4'-P energy: -59.652 bonds (distance) P-C4' energy: -69.685 flat angles C4'-P-C4' energy: -65.645 flat angles P-C4'-P energy: -34.438 tors. eta vs tors. theta energy: -16.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1419.862733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.862733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.862733 (E_RNA) where: Base-Base interactions energy: -954.840 where: short stacking energy: -430.684 Base-Backbone interact. energy: -1.346 local terms energy: -463.676499 where: bonds (distance) C4'-P energy: -75.114 bonds (distance) P-C4' energy: -85.869 flat angles C4'-P-C4' energy: -96.904 flat angles P-C4'-P energy: -69.690 tors. eta vs tors. theta energy: -136.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1363.638313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.638313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.638313 (E_RNA) where: Base-Base interactions energy: -947.135 where: short stacking energy: -430.135 Base-Backbone interact. energy: 0.624 local terms energy: -417.127773 where: bonds (distance) C4'-P energy: -83.190 bonds (distance) P-C4' energy: -73.864 flat angles C4'-P-C4' energy: -83.288 flat angles P-C4'-P energy: -55.155 tors. eta vs tors. theta energy: -121.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1283.957289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.957289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.957289 (E_RNA) where: Base-Base interactions energy: -886.346 where: short stacking energy: -386.594 Base-Backbone interact. energy: -0.968 local terms energy: -396.643803 where: bonds (distance) C4'-P energy: -71.294 bonds (distance) P-C4' energy: -77.587 flat angles C4'-P-C4' energy: -86.257 flat angles P-C4'-P energy: -54.979 tors. eta vs tors. theta energy: -106.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1216.420799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.420799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.420799 (E_RNA) where: Base-Base interactions energy: -833.419 where: short stacking energy: -362.353 Base-Backbone interact. energy: -2.634 local terms energy: -380.368380 where: bonds (distance) C4'-P energy: -74.621 bonds (distance) P-C4' energy: -67.230 flat angles C4'-P-C4' energy: -79.261 flat angles P-C4'-P energy: -59.976 tors. eta vs tors. theta energy: -99.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1225.898001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.898001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.898001 (E_RNA) where: Base-Base interactions energy: -829.229 where: short stacking energy: -343.983 Base-Backbone interact. energy: -2.330 local terms energy: -394.338938 where: bonds (distance) C4'-P energy: -72.472 bonds (distance) P-C4' energy: -83.710 flat angles C4'-P-C4' energy: -83.994 flat angles P-C4'-P energy: -55.222 tors. eta vs tors. theta energy: -98.941 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: 8 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1121.192561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.192561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.192561 (E_RNA) where: Base-Base interactions energy: -797.219 where: short stacking energy: -331.120 Base-Backbone interact. energy: -0.893 local terms energy: -323.080979 where: bonds (distance) C4'-P energy: -61.405 bonds (distance) P-C4' energy: -69.829 flat angles C4'-P-C4' energy: -68.488 flat angles P-C4'-P energy: -42.580 tors. eta vs tors. theta energy: -80.778 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: 4 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -893.170875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.170875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.170875 (E_RNA) where: Base-Base interactions energy: -565.282 where: short stacking energy: -249.432 Base-Backbone interact. energy: -1.966 local terms energy: -325.923584 where: bonds (distance) C4'-P energy: -66.290 bonds (distance) P-C4' energy: -80.511 flat angles C4'-P-C4' energy: -80.268 flat angles P-C4'-P energy: -49.311 tors. eta vs tors. theta energy: -49.543 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: 8, replica: 7 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -719.567047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.567047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.567047 (E_RNA) where: Base-Base interactions energy: -444.872 where: short stacking energy: -207.253 Base-Backbone interact. energy: -0.604 local terms energy: -274.090972 where: bonds (distance) C4'-P energy: -70.379 bonds (distance) P-C4' energy: -73.670 flat angles C4'-P-C4' energy: -62.333 flat angles P-C4'-P energy: -33.864 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: 9, replica: 2 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -573.496680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.496680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.496680 (E_RNA) where: Base-Base interactions energy: -321.995 where: short stacking energy: -171.800 Base-Backbone interact. energy: 0.903 local terms energy: -252.404304 where: bonds (distance) C4'-P energy: -60.869 bonds (distance) P-C4' energy: -59.634 flat angles C4'-P-C4' energy: -69.534 flat angles P-C4'-P energy: -33.667 tors. eta vs tors. theta energy: -28.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -469.777039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.777039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.777039 (E_RNA) where: Base-Base interactions energy: -240.148 where: short stacking energy: -145.863 Base-Backbone interact. energy: 0.649 local terms energy: -230.278207 where: bonds (distance) C4'-P energy: -52.711 bonds (distance) P-C4' energy: -60.076 flat angles C4'-P-C4' energy: -61.321 flat angles P-C4'-P energy: -38.984 tors. eta vs tors. theta energy: -17.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1414.133357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.133357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.133357 (E_RNA) where: Base-Base interactions energy: -956.999 where: short stacking energy: -416.713 Base-Backbone interact. energy: -1.732 local terms energy: -455.402722 where: bonds (distance) C4'-P energy: -81.149 bonds (distance) P-C4' energy: -87.105 flat angles C4'-P-C4' energy: -101.052 flat angles P-C4'-P energy: -59.540 tors. eta vs tors. theta energy: -126.558 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: 6 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1354.745125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.745125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.745125 (E_RNA) where: Base-Base interactions energy: -922.035 where: short stacking energy: -406.113 Base-Backbone interact. energy: -1.298 local terms energy: -431.411267 where: bonds (distance) C4'-P energy: -81.941 bonds (distance) P-C4' energy: -76.231 flat angles C4'-P-C4' energy: -86.947 flat angles P-C4'-P energy: -67.536 tors. eta vs tors. theta energy: -118.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1295.588177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.588177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.588177 (E_RNA) where: Base-Base interactions energy: -888.798 where: short stacking energy: -380.666 Base-Backbone interact. energy: -0.378 local terms energy: -406.412021 where: bonds (distance) C4'-P energy: -75.301 bonds (distance) P-C4' energy: -78.440 flat angles C4'-P-C4' energy: -86.870 flat angles P-C4'-P energy: -58.609 tors. eta vs tors. theta energy: -107.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1228.060850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.060850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.060850 (E_RNA) where: Base-Base interactions energy: -857.398 where: short stacking energy: -361.576 Base-Backbone interact. energy: -0.554 local terms energy: -370.108870 where: bonds (distance) C4'-P energy: -69.262 bonds (distance) P-C4' energy: -64.098 flat angles C4'-P-C4' energy: -87.928 flat angles P-C4'-P energy: -51.958 tors. eta vs tors. theta energy: -96.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1220.658468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.658468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.658468 (E_RNA) where: Base-Base interactions energy: -843.924 where: short stacking energy: -377.515 Base-Backbone interact. energy: -1.841 local terms energy: -374.892701 where: bonds (distance) C4'-P energy: -77.950 bonds (distance) P-C4' energy: -59.623 flat angles C4'-P-C4' energy: -81.470 flat angles P-C4'-P energy: -46.412 tors. eta vs tors. theta energy: -109.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1122.421632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.421632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.421632 (E_RNA) where: Base-Base interactions energy: -784.382 where: short stacking energy: -327.201 Base-Backbone interact. energy: -1.103 local terms energy: -336.936754 where: bonds (distance) C4'-P energy: -57.625 bonds (distance) P-C4' energy: -62.511 flat angles C4'-P-C4' energy: -86.022 flat angles P-C4'-P energy: -40.403 tors. eta vs tors. theta energy: -90.375 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: 4 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -901.113444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.113444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.113444 (E_RNA) where: Base-Base interactions energy: -596.879 where: short stacking energy: -281.371 Base-Backbone interact. energy: -0.265 local terms energy: -303.970341 where: bonds (distance) C4'-P energy: -66.620 bonds (distance) P-C4' energy: -60.017 flat angles C4'-P-C4' energy: -66.659 flat angles P-C4'-P energy: -45.820 tors. eta vs tors. theta energy: -64.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -739.816740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.816740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.816740 (E_RNA) where: Base-Base interactions energy: -463.975 where: short stacking energy: -221.124 Base-Backbone interact. energy: -1.541 local terms energy: -274.300632 where: bonds (distance) C4'-P energy: -65.661 bonds (distance) P-C4' energy: -70.028 flat angles C4'-P-C4' energy: -70.048 flat angles P-C4'-P energy: -37.119 tors. eta vs tors. theta energy: -31.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -561.201258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.201258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.201258 (E_RNA) where: Base-Base interactions energy: -315.583 where: short stacking energy: -170.006 Base-Backbone interact. energy: -0.765 local terms energy: -244.852434 where: bonds (distance) C4'-P energy: -63.366 bonds (distance) P-C4' energy: -68.508 flat angles C4'-P-C4' energy: -57.837 flat angles P-C4'-P energy: -39.767 tors. eta vs tors. theta energy: -15.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -461.178284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.178284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.178284 (E_RNA) where: Base-Base interactions energy: -259.491 where: short stacking energy: -156.450 Base-Backbone interact. energy: 2.076 local terms energy: -203.763369 where: bonds (distance) C4'-P energy: -61.395 bonds (distance) P-C4' energy: -64.540 flat angles C4'-P-C4' energy: -46.138 flat angles P-C4'-P energy: -26.345 tors. eta vs tors. theta energy: -5.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1420.535001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.535001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.535001 (E_RNA) where: Base-Base interactions energy: -976.347 where: short stacking energy: -428.350 Base-Backbone interact. energy: -0.816 local terms energy: -443.372608 where: bonds (distance) C4'-P energy: -86.681 bonds (distance) P-C4' energy: -80.479 flat angles C4'-P-C4' energy: -88.013 flat angles P-C4'-P energy: -54.011 tors. eta vs tors. theta energy: -134.190 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: 6 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1345.574806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.574806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.574806 (E_RNA) where: Base-Base interactions energy: -918.282 where: short stacking energy: -397.713 Base-Backbone interact. energy: -2.576 local terms energy: -424.716341 where: bonds (distance) C4'-P energy: -79.016 bonds (distance) P-C4' energy: -79.452 flat angles C4'-P-C4' energy: -91.277 flat angles P-C4'-P energy: -53.311 tors. eta vs tors. theta energy: -121.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1276.699252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.699252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.699252 (E_RNA) where: Base-Base interactions energy: -872.819 where: short stacking energy: -376.202 Base-Backbone interact. energy: -3.121 local terms energy: -400.760084 where: bonds (distance) C4'-P energy: -79.883 bonds (distance) P-C4' energy: -84.319 flat angles C4'-P-C4' energy: -84.795 flat angles P-C4'-P energy: -49.324 tors. eta vs tors. theta energy: -102.438 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: 3 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1217.671659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.671659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.671659 (E_RNA) where: Base-Base interactions energy: -830.261 where: short stacking energy: -366.428 Base-Backbone interact. energy: -2.565 local terms energy: -384.845347 where: bonds (distance) C4'-P energy: -68.020 bonds (distance) P-C4' energy: -78.397 flat angles C4'-P-C4' energy: -88.559 flat angles P-C4'-P energy: -47.875 tors. eta vs tors. theta energy: -101.995 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: 5 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1195.074161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.074161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.074161 (E_RNA) where: Base-Base interactions energy: -816.522 where: short stacking energy: -335.139 Base-Backbone interact. energy: -0.822 local terms energy: -377.730357 where: bonds (distance) C4'-P energy: -69.334 bonds (distance) P-C4' energy: -78.969 flat angles C4'-P-C4' energy: -81.000 flat angles P-C4'-P energy: -49.635 tors. eta vs tors. theta energy: -98.794 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: 8 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1132.681743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.681743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.681743 (E_RNA) where: Base-Base interactions energy: -782.282 where: short stacking energy: -321.622 Base-Backbone interact. energy: 0.342 local terms energy: -350.742175 where: bonds (distance) C4'-P energy: -68.104 bonds (distance) P-C4' energy: -65.010 flat angles C4'-P-C4' energy: -78.266 flat angles P-C4'-P energy: -59.936 tors. eta vs tors. theta energy: -79.426 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: 7, replica: 4 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -912.537825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.537825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.537825 (E_RNA) where: Base-Base interactions energy: -589.951 where: short stacking energy: -254.819 Base-Backbone interact. energy: -2.662 local terms energy: -319.924768 where: bonds (distance) C4'-P energy: -65.954 bonds (distance) P-C4' energy: -81.203 flat angles C4'-P-C4' energy: -69.113 flat angles P-C4'-P energy: -52.218 tors. eta vs tors. theta energy: -51.437 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: 8, replica: 7 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -705.512358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.512358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.512358 (E_RNA) where: Base-Base interactions energy: -455.977 where: short stacking energy: -210.454 Base-Backbone interact. energy: 0.929 local terms energy: -250.464002 where: bonds (distance) C4'-P energy: -68.094 bonds (distance) P-C4' energy: -53.602 flat angles C4'-P-C4' energy: -53.515 flat angles P-C4'-P energy: -41.967 tors. eta vs tors. theta energy: -33.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -608.841253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.841253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.841253 (E_RNA) where: Base-Base interactions energy: -366.458 where: short stacking energy: -184.973 Base-Backbone interact. energy: -0.759 local terms energy: -241.624445 where: bonds (distance) C4'-P energy: -52.370 bonds (distance) P-C4' energy: -68.416 flat angles C4'-P-C4' energy: -71.143 flat angles P-C4'-P energy: -29.779 tors. eta vs tors. theta energy: -19.917 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: 399 Temperature: 1.350000 Total energy: -483.066070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.066070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.066070 (E_RNA) where: Base-Base interactions energy: -256.240 where: short stacking energy: -154.239 Base-Backbone interact. energy: -1.174 local terms energy: -225.651160 where: bonds (distance) C4'-P energy: -55.239 bonds (distance) P-C4' energy: -56.577 flat angles C4'-P-C4' energy: -70.962 flat angles P-C4'-P energy: -42.789 tors. eta vs tors. theta energy: -0.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1389.966493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.966493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.966493 (E_RNA) where: Base-Base interactions energy: -961.583 where: short stacking energy: -418.725 Base-Backbone interact. energy: -1.246 local terms energy: -427.137604 where: bonds (distance) C4'-P energy: -74.688 bonds (distance) P-C4' energy: -87.647 flat angles C4'-P-C4' energy: -77.689 flat angles P-C4'-P energy: -59.805 tors. eta vs tors. theta energy: -127.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1425.226195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.226195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.226195 (E_RNA) where: Base-Base interactions energy: -994.028 where: short stacking energy: -444.304 Base-Backbone interact. energy: -1.992 local terms energy: -429.205622 where: bonds (distance) C4'-P energy: -75.831 bonds (distance) P-C4' energy: -62.437 flat angles C4'-P-C4' energy: -95.605 flat angles P-C4'-P energy: -61.877 tors. eta vs tors. theta energy: -133.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1295.875405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.875405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.875405 (E_RNA) where: Base-Base interactions energy: -870.704 where: short stacking energy: -382.081 Base-Backbone interact. energy: -1.656 local terms energy: -423.516212 where: bonds (distance) C4'-P energy: -75.354 bonds (distance) P-C4' energy: -78.211 flat angles C4'-P-C4' energy: -93.666 flat angles P-C4'-P energy: -66.212 tors. eta vs tors. theta energy: -110.073 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: 3 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1210.092156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.092156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.092156 (E_RNA) where: Base-Base interactions energy: -830.616 where: short stacking energy: -369.086 Base-Backbone interact. energy: -2.024 local terms energy: -377.451567 where: bonds (distance) C4'-P energy: -67.343 bonds (distance) P-C4' energy: -68.778 flat angles C4'-P-C4' energy: -82.885 flat angles P-C4'-P energy: -57.509 tors. eta vs tors. theta energy: -100.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1178.113538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.113538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.113538 (E_RNA) where: Base-Base interactions energy: -805.757 where: short stacking energy: -346.255 Base-Backbone interact. energy: -1.386 local terms energy: -370.970873 where: bonds (distance) C4'-P energy: -78.437 bonds (distance) P-C4' energy: -67.311 flat angles C4'-P-C4' energy: -79.478 flat angles P-C4'-P energy: -46.357 tors. eta vs tors. theta energy: -99.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1098.410021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.410021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.410021 (E_RNA) where: Base-Base interactions energy: -762.424 where: short stacking energy: -318.337 Base-Backbone interact. energy: 0.685 local terms energy: -336.671404 where: bonds (distance) C4'-P energy: -69.656 bonds (distance) P-C4' energy: -57.067 flat angles C4'-P-C4' energy: -73.968 flat angles P-C4'-P energy: -54.704 tors. eta vs tors. theta energy: -81.277 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: 4 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -934.040263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.040263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.040263 (E_RNA) where: Base-Base interactions energy: -598.858 where: short stacking energy: -280.678 Base-Backbone interact. energy: -3.835 local terms energy: -331.347229 where: bonds (distance) C4'-P energy: -63.516 bonds (distance) P-C4' energy: -77.751 flat angles C4'-P-C4' energy: -73.304 flat angles P-C4'-P energy: -46.500 tors. eta vs tors. theta energy: -70.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -719.486128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.486128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.486128 (E_RNA) where: Base-Base interactions energy: -436.593 where: short stacking energy: -223.141 Base-Backbone interact. energy: -0.290 local terms energy: -282.603271 where: bonds (distance) C4'-P energy: -61.262 bonds (distance) P-C4' energy: -75.866 flat angles C4'-P-C4' energy: -70.398 flat angles P-C4'-P energy: -33.207 tors. eta vs tors. theta energy: -41.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -581.861026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.861026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.861026 (E_RNA) where: Base-Base interactions energy: -335.027 where: short stacking energy: -167.474 Base-Backbone interact. energy: -1.127 local terms energy: -245.707132 where: bonds (distance) C4'-P energy: -57.242 bonds (distance) P-C4' energy: -66.058 flat angles C4'-P-C4' energy: -62.716 flat angles P-C4'-P energy: -44.031 tors. eta vs tors. theta energy: -15.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -463.012209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.012209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.012209 (E_RNA) where: Base-Base interactions energy: -218.283 where: short stacking energy: -121.418 Base-Backbone interact. energy: -0.848 local terms energy: -243.880896 where: bonds (distance) C4'-P energy: -73.643 bonds (distance) P-C4' energy: -60.659 flat angles C4'-P-C4' energy: -66.626 flat angles P-C4'-P energy: -50.770 tors. eta vs tors. theta energy: 7.818 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: 6 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1375.184355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.184355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.184355 (E_RNA) where: Base-Base interactions energy: -942.230 where: short stacking energy: -415.782 Base-Backbone interact. energy: -1.173 local terms energy: -431.780997 where: bonds (distance) C4'-P energy: -76.980 bonds (distance) P-C4' energy: -83.883 flat angles C4'-P-C4' energy: -86.257 flat angles P-C4'-P energy: -62.963 tors. eta vs tors. theta energy: -121.698 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: 9 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1386.485802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.485802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.485802 (E_RNA) where: Base-Base interactions energy: -935.843 where: short stacking energy: -411.022 Base-Backbone interact. energy: -1.172 local terms energy: -449.470536 where: bonds (distance) C4'-P energy: -75.783 bonds (distance) P-C4' energy: -80.750 flat angles C4'-P-C4' energy: -94.370 flat angles P-C4'-P energy: -68.326 tors. eta vs tors. theta energy: -130.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1321.124855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.124855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.124855 (E_RNA) where: Base-Base interactions energy: -919.591 where: short stacking energy: -382.881 Base-Backbone interact. energy: -0.218 local terms energy: -401.315833 where: bonds (distance) C4'-P energy: -67.989 bonds (distance) P-C4' energy: -73.292 flat angles C4'-P-C4' energy: -92.693 flat angles P-C4'-P energy: -53.499 tors. eta vs tors. theta energy: -113.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1223.767602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.767602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.767602 (E_RNA) where: Base-Base interactions energy: -833.843 where: short stacking energy: -364.075 Base-Backbone interact. energy: -1.581 local terms energy: -388.344159 where: bonds (distance) C4'-P energy: -64.120 bonds (distance) P-C4' energy: -84.605 flat angles C4'-P-C4' energy: -88.886 flat angles P-C4'-P energy: -56.409 tors. eta vs tors. theta energy: -94.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1216.061090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.061090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.061090 (E_RNA) where: Base-Base interactions energy: -859.093 where: short stacking energy: -377.745 Base-Backbone interact. energy: -1.202 local terms energy: -355.765907 where: bonds (distance) C4'-P energy: -68.114 bonds (distance) P-C4' energy: -61.640 flat angles C4'-P-C4' energy: -72.068 flat angles P-C4'-P energy: -50.614 tors. eta vs tors. theta energy: -103.330 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: 6, replica: 8 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1072.949456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.949456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.949456 (E_RNA) where: Base-Base interactions energy: -744.417 where: short stacking energy: -311.805 Base-Backbone interact. energy: -0.841 local terms energy: -327.691852 where: bonds (distance) C4'-P energy: -53.599 bonds (distance) P-C4' energy: -64.408 flat angles C4'-P-C4' energy: -74.267 flat angles P-C4'-P energy: -56.648 tors. eta vs tors. theta energy: -78.769 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: 4 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -962.265010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.265010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.265010 (E_RNA) where: Base-Base interactions energy: -636.323 where: short stacking energy: -300.855 Base-Backbone interact. energy: -1.493 local terms energy: -324.448866 where: bonds (distance) C4'-P energy: -64.205 bonds (distance) P-C4' energy: -63.036 flat angles C4'-P-C4' energy: -79.015 flat angles P-C4'-P energy: -42.343 tors. eta vs tors. theta energy: -75.850 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: 8, replica: 7 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -730.600652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.600652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.600652 (E_RNA) where: Base-Base interactions energy: -448.565 where: short stacking energy: -202.651 Base-Backbone interact. energy: -1.333 local terms energy: -280.701820 where: bonds (distance) C4'-P energy: -75.732 bonds (distance) P-C4' energy: -67.693 flat angles C4'-P-C4' energy: -69.408 flat angles P-C4'-P energy: -35.419 tors. eta vs tors. theta energy: -32.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -553.821548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.821548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.821548 (E_RNA) where: Base-Base interactions energy: -295.836 where: short stacking energy: -159.948 Base-Backbone interact. energy: -2.965 local terms energy: -255.020521 where: bonds (distance) C4'-P energy: -76.779 bonds (distance) P-C4' energy: -58.216 flat angles C4'-P-C4' energy: -67.577 flat angles P-C4'-P energy: -39.159 tors. eta vs tors. theta energy: -13.290 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: 1 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -481.068244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.068244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.068244 (E_RNA) where: Base-Base interactions energy: -266.672 where: short stacking energy: -132.699 Base-Backbone interact. energy: 5.404 local terms energy: -219.800766 where: bonds (distance) C4'-P energy: -59.891 bonds (distance) P-C4' energy: -59.492 flat angles C4'-P-C4' energy: -68.775 flat angles P-C4'-P energy: -27.035 tors. eta vs tors. theta energy: -4.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1390.246901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.246901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.246901 (E_RNA) where: Base-Base interactions energy: -947.062 where: short stacking energy: -423.643 Base-Backbone interact. energy: -2.440 local terms energy: -440.744919 where: bonds (distance) C4'-P energy: -80.343 bonds (distance) P-C4' energy: -83.366 flat angles C4'-P-C4' energy: -87.815 flat angles P-C4'-P energy: -62.824 tors. eta vs tors. theta energy: -126.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1398.239500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.239500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.239500 (E_RNA) where: Base-Base interactions energy: -956.061 where: short stacking energy: -425.254 Base-Backbone interact. energy: -2.741 local terms energy: -439.437932 where: bonds (distance) C4'-P energy: -76.790 bonds (distance) P-C4' energy: -80.173 flat angles C4'-P-C4' energy: -85.331 flat angles P-C4'-P energy: -66.817 tors. eta vs tors. theta energy: -130.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1339.426112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.426112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.426112 (E_RNA) where: Base-Base interactions energy: -923.876 where: short stacking energy: -402.912 Base-Backbone interact. energy: 1.406 local terms energy: -416.955697 where: bonds (distance) C4'-P energy: -74.184 bonds (distance) P-C4' energy: -84.931 flat angles C4'-P-C4' energy: -88.375 flat angles P-C4'-P energy: -54.063 tors. eta vs tors. theta energy: -115.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1209.792734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.792734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.792734 (E_RNA) where: Base-Base interactions energy: -852.989 where: short stacking energy: -365.608 Base-Backbone interact. energy: -0.015 local terms energy: -356.789256 where: bonds (distance) C4'-P energy: -61.357 bonds (distance) P-C4' energy: -65.340 flat angles C4'-P-C4' energy: -74.618 flat angles P-C4'-P energy: -52.699 tors. eta vs tors. theta energy: -102.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1193.450920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.450920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.450920 (E_RNA) where: Base-Base interactions energy: -817.333 where: short stacking energy: -357.586 Base-Backbone interact. energy: -1.455 local terms energy: -374.662660 where: bonds (distance) C4'-P energy: -55.295 bonds (distance) P-C4' energy: -84.608 flat angles C4'-P-C4' energy: -77.995 flat angles P-C4'-P energy: -59.181 tors. eta vs tors. theta energy: -97.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1062.352875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.352875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.352875 (E_RNA) where: Base-Base interactions energy: -744.270 where: short stacking energy: -292.922 Base-Backbone interact. energy: -1.219 local terms energy: -316.863716 where: bonds (distance) C4'-P energy: -56.796 bonds (distance) P-C4' energy: -62.421 flat angles C4'-P-C4' energy: -73.366 flat angles P-C4'-P energy: -49.875 tors. eta vs tors. theta energy: -74.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -936.318909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.318909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.318909 (E_RNA) where: Base-Base interactions energy: -613.962 where: short stacking energy: -283.575 Base-Backbone interact. energy: -0.061 local terms energy: -322.296770 where: bonds (distance) C4'-P energy: -66.406 bonds (distance) P-C4' energy: -61.698 flat angles C4'-P-C4' energy: -69.176 flat angles P-C4'-P energy: -57.672 tors. eta vs tors. theta energy: -67.345 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: 7 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -721.694297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.694297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.694297 (E_RNA) where: Base-Base interactions energy: -439.420 where: short stacking energy: -212.126 Base-Backbone interact. energy: 0.833 local terms energy: -283.107138 where: bonds (distance) C4'-P energy: -71.925 bonds (distance) P-C4' energy: -78.400 flat angles C4'-P-C4' energy: -67.419 flat angles P-C4'-P energy: -39.129 tors. eta vs tors. theta energy: -26.234 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: 9, replica: 2 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -584.205094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.205094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.205094 (E_RNA) where: Base-Base interactions energy: -323.915 where: short stacking energy: -164.682 Base-Backbone interact. energy: -1.559 local terms energy: -258.731241 where: bonds (distance) C4'-P energy: -66.242 bonds (distance) P-C4' energy: -49.998 flat angles C4'-P-C4' energy: -69.208 flat angles P-C4'-P energy: -50.187 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: 10, replica: 1 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -510.922526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.922526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.922526 (E_RNA) where: Base-Base interactions energy: -279.996 where: short stacking energy: -170.107 Base-Backbone interact. energy: -0.078 local terms energy: -230.848291 where: bonds (distance) C4'-P energy: -64.344 bonds (distance) P-C4' energy: -65.544 flat angles C4'-P-C4' energy: -61.474 flat angles P-C4'-P energy: -27.010 tors. eta vs tors. theta energy: -12.477 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: 6 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1403.695149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.695149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.695149 (E_RNA) where: Base-Base interactions energy: -981.855 where: short stacking energy: -420.396 Base-Backbone interact. energy: -1.542 local terms energy: -420.297967 where: bonds (distance) C4'-P energy: -62.995 bonds (distance) P-C4' energy: -79.031 flat angles C4'-P-C4' energy: -87.241 flat angles P-C4'-P energy: -70.179 tors. eta vs tors. theta energy: -120.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1403.625622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.625622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.625622 (E_RNA) where: Base-Base interactions energy: -960.984 where: short stacking energy: -419.970 Base-Backbone interact. energy: -1.443 local terms energy: -441.198813 where: bonds (distance) C4'-P energy: -82.177 bonds (distance) P-C4' energy: -80.986 flat angles C4'-P-C4' energy: -87.444 flat angles P-C4'-P energy: -61.114 tors. eta vs tors. theta energy: -129.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1363.192993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.192993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.192993 (E_RNA) where: Base-Base interactions energy: -922.900 where: short stacking energy: -411.992 Base-Backbone interact. energy: 0.215 local terms energy: -440.507902 where: bonds (distance) C4'-P energy: -77.709 bonds (distance) P-C4' energy: -81.803 flat angles C4'-P-C4' energy: -88.498 flat angles P-C4'-P energy: -69.705 tors. eta vs tors. theta energy: -122.793 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: 4, replica: 3 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1250.250265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.250265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.250265 (E_RNA) where: Base-Base interactions energy: -863.933 where: short stacking energy: -362.567 Base-Backbone interact. energy: -1.750 local terms energy: -384.567456 where: bonds (distance) C4'-P energy: -75.575 bonds (distance) P-C4' energy: -78.242 flat angles C4'-P-C4' energy: -74.398 flat angles P-C4'-P energy: -55.993 tors. eta vs tors. theta energy: -100.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1161.383976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.383976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.383976 (E_RNA) where: Base-Base interactions energy: -801.546 where: short stacking energy: -353.650 Base-Backbone interact. energy: -1.557 local terms energy: -358.281206 where: bonds (distance) C4'-P energy: -62.247 bonds (distance) P-C4' energy: -72.067 flat angles C4'-P-C4' energy: -73.639 flat angles P-C4'-P energy: -48.137 tors. eta vs tors. theta energy: -102.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1102.156263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.156263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.156263 (E_RNA) where: Base-Base interactions energy: -755.130 where: short stacking energy: -323.813 Base-Backbone interact. energy: -0.644 local terms energy: -346.382421 where: bonds (distance) C4'-P energy: -65.381 bonds (distance) P-C4' energy: -75.127 flat angles C4'-P-C4' energy: -75.100 flat angles P-C4'-P energy: -47.088 tors. eta vs tors. theta energy: -83.686 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: 4 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -973.640534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.640534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.640534 (E_RNA) where: Base-Base interactions energy: -658.911 where: short stacking energy: -288.197 Base-Backbone interact. energy: 0.848 local terms energy: -315.577764 where: bonds (distance) C4'-P energy: -59.519 bonds (distance) P-C4' energy: -65.706 flat angles C4'-P-C4' energy: -59.703 flat angles P-C4'-P energy: -53.435 tors. eta vs tors. theta energy: -77.215 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: 7 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -742.034208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.034208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.034208 (E_RNA) where: Base-Base interactions energy: -436.149 where: short stacking energy: -216.419 Base-Backbone interact. energy: -1.144 local terms energy: -304.740767 where: bonds (distance) C4'-P energy: -80.445 bonds (distance) P-C4' energy: -69.362 flat angles C4'-P-C4' energy: -56.902 flat angles P-C4'-P energy: -45.009 tors. eta vs tors. theta energy: -53.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -584.647438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.647438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.647438 (E_RNA) where: Base-Base interactions energy: -329.087 where: short stacking energy: -180.084 Base-Backbone interact. energy: 0.565 local terms energy: -256.124776 where: bonds (distance) C4'-P energy: -60.543 bonds (distance) P-C4' energy: -61.654 flat angles C4'-P-C4' energy: -62.997 flat angles P-C4'-P energy: -44.501 tors. eta vs tors. theta energy: -26.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -473.450088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.450088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.450088 (E_RNA) where: Base-Base interactions energy: -258.924 where: short stacking energy: -153.412 Base-Backbone interact. energy: 2.499 local terms energy: -217.025285 where: bonds (distance) C4'-P energy: -51.870 bonds (distance) P-C4' energy: -66.334 flat angles C4'-P-C4' energy: -52.874 flat angles P-C4'-P energy: -33.242 tors. eta vs tors. theta energy: -12.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1411.113913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.113913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.113913 (E_RNA) where: Base-Base interactions energy: -978.805 where: short stacking energy: -425.540 Base-Backbone interact. energy: -2.520 local terms energy: -429.788850 where: bonds (distance) C4'-P energy: -73.633 bonds (distance) P-C4' energy: -76.642 flat angles C4'-P-C4' energy: -80.496 flat angles P-C4'-P energy: -70.440 tors. eta vs tors. theta energy: -128.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1366.151808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.151808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.151808 (E_RNA) where: Base-Base interactions energy: -952.096 where: short stacking energy: -405.526 Base-Backbone interact. energy: -1.690 local terms energy: -412.365715 where: bonds (distance) C4'-P energy: -80.467 bonds (distance) P-C4' energy: -76.728 flat angles C4'-P-C4' energy: -89.160 flat angles P-C4'-P energy: -53.209 tors. eta vs tors. theta energy: -112.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1356.204589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.204589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.204589 (E_RNA) where: Base-Base interactions energy: -949.066 where: short stacking energy: -409.099 Base-Backbone interact. energy: 3.558 local terms energy: -410.696707 where: bonds (distance) C4'-P energy: -71.592 bonds (distance) P-C4' energy: -78.489 flat angles C4'-P-C4' energy: -80.487 flat angles P-C4'-P energy: -58.288 tors. eta vs tors. theta energy: -121.841 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: 3 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1224.174712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.174712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.174712 (E_RNA) where: Base-Base interactions energy: -844.819 where: short stacking energy: -366.467 Base-Backbone interact. energy: -0.084 local terms energy: -379.271549 where: bonds (distance) C4'-P energy: -66.097 bonds (distance) P-C4' energy: -68.565 flat angles C4'-P-C4' energy: -90.256 flat angles P-C4'-P energy: -50.834 tors. eta vs tors. theta energy: -103.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1146.211032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.211032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.211032 (E_RNA) where: Base-Base interactions energy: -790.605 where: short stacking energy: -334.387 Base-Backbone interact. energy: -2.124 local terms energy: -353.482018 where: bonds (distance) C4'-P energy: -54.421 bonds (distance) P-C4' energy: -69.337 flat angles C4'-P-C4' energy: -83.970 flat angles P-C4'-P energy: -53.058 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: 6, replica: 8 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1125.161334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.161334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.161334 (E_RNA) where: Base-Base interactions energy: -766.161 where: short stacking energy: -337.868 Base-Backbone interact. energy: -3.668 local terms energy: -355.331584 where: bonds (distance) C4'-P energy: -70.847 bonds (distance) P-C4' energy: -71.244 flat angles C4'-P-C4' energy: -74.078 flat angles P-C4'-P energy: -55.982 tors. eta vs tors. theta energy: -83.181 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: 4 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -959.179059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.179059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.179059 (E_RNA) where: Base-Base interactions energy: -619.249 where: short stacking energy: -282.441 Base-Backbone interact. energy: -1.437 local terms energy: -338.493855 where: bonds (distance) C4'-P energy: -60.880 bonds (distance) P-C4' energy: -79.274 flat angles C4'-P-C4' energy: -70.664 flat angles P-C4'-P energy: -55.454 tors. eta vs tors. theta energy: -72.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -764.350942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.350942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.350942 (E_RNA) where: Base-Base interactions energy: -486.807 where: short stacking energy: -226.730 Base-Backbone interact. energy: 4.036 local terms energy: -281.580436 where: bonds (distance) C4'-P energy: -59.858 bonds (distance) P-C4' energy: -79.761 flat angles C4'-P-C4' energy: -63.576 flat angles P-C4'-P energy: -41.122 tors. eta vs tors. theta energy: -37.262 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: 2 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -585.289258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.289258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.289258 (E_RNA) where: Base-Base interactions energy: -333.387 where: short stacking energy: -180.916 Base-Backbone interact. energy: -1.657 local terms energy: -250.245779 where: bonds (distance) C4'-P energy: -75.900 bonds (distance) P-C4' energy: -67.615 flat angles C4'-P-C4' energy: -59.339 flat angles P-C4'-P energy: -27.526 tors. eta vs tors. theta energy: -19.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -509.877681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.877681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.877681 (E_RNA) where: Base-Base interactions energy: -273.331 where: short stacking energy: -163.813 Base-Backbone interact. energy: -1.870 local terms energy: -234.677076 where: bonds (distance) C4'-P energy: -56.625 bonds (distance) P-C4' energy: -64.334 flat angles C4'-P-C4' energy: -59.322 flat angles P-C4'-P energy: -41.924 tors. eta vs tors. theta energy: -12.472 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: 1, replica: 9 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1409.861150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.861150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.861150 (E_RNA) where: Base-Base interactions energy: -986.439 where: short stacking energy: -434.357 Base-Backbone interact. energy: -0.628 local terms energy: -422.794001 where: bonds (distance) C4'-P energy: -74.047 bonds (distance) P-C4' energy: -79.522 flat angles C4'-P-C4' energy: -88.664 flat angles P-C4'-P energy: -56.946 tors. eta vs tors. theta energy: -123.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1346.250184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.250184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.250184 (E_RNA) where: Base-Base interactions energy: -939.099 where: short stacking energy: -399.280 Base-Backbone interact. energy: 4.997 local terms energy: -412.148131 where: bonds (distance) C4'-P energy: -77.143 bonds (distance) P-C4' energy: -77.051 flat angles C4'-P-C4' energy: -79.530 flat angles P-C4'-P energy: -60.985 tors. eta vs tors. theta energy: -117.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1351.124467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.124467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.124467 (E_RNA) where: Base-Base interactions energy: -936.588 where: short stacking energy: -395.428 Base-Backbone interact. energy: -1.121 local terms energy: -413.415734 where: bonds (distance) C4'-P energy: -76.130 bonds (distance) P-C4' energy: -79.741 flat angles C4'-P-C4' energy: -87.942 flat angles P-C4'-P energy: -55.925 tors. eta vs tors. theta energy: -113.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1235.916800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.916800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.916800 (E_RNA) where: Base-Base interactions energy: -858.500 where: short stacking energy: -373.608 Base-Backbone interact. energy: 0.119 local terms energy: -377.535974 where: bonds (distance) C4'-P energy: -67.990 bonds (distance) P-C4' energy: -66.695 flat angles C4'-P-C4' energy: -82.972 flat angles P-C4'-P energy: -48.481 tors. eta vs tors. theta energy: -111.398 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: 5, replica: 5 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1175.874054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.874054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.874054 (E_RNA) where: Base-Base interactions energy: -806.620 where: short stacking energy: -357.375 Base-Backbone interact. energy: -1.388 local terms energy: -367.866461 where: bonds (distance) C4'-P energy: -71.486 bonds (distance) P-C4' energy: -58.960 flat angles C4'-P-C4' energy: -79.058 flat angles P-C4'-P energy: -63.305 tors. eta vs tors. theta energy: -95.057 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: 6, replica: 8 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1102.050216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.050216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.050216 (E_RNA) where: Base-Base interactions energy: -753.983 where: short stacking energy: -323.945 Base-Backbone interact. energy: -1.252 local terms energy: -346.814981 where: bonds (distance) C4'-P energy: -76.608 bonds (distance) P-C4' energy: -69.742 flat angles C4'-P-C4' energy: -78.016 flat angles P-C4'-P energy: -41.216 tors. eta vs tors. theta energy: -81.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -923.785955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.785955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.785955 (E_RNA) where: Base-Base interactions energy: -613.162 where: short stacking energy: -280.249 Base-Backbone interact. energy: -0.681 local terms energy: -309.943145 where: bonds (distance) C4'-P energy: -52.075 bonds (distance) P-C4' energy: -76.204 flat angles C4'-P-C4' energy: -68.012 flat angles P-C4'-P energy: -43.127 tors. eta vs tors. theta energy: -70.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -770.952208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.952208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.952208 (E_RNA) where: Base-Base interactions energy: -497.520 where: short stacking energy: -220.446 Base-Backbone interact. energy: -0.964 local terms energy: -272.468194 where: bonds (distance) C4'-P energy: -72.910 bonds (distance) P-C4' energy: -66.515 flat angles C4'-P-C4' energy: -58.714 flat angles P-C4'-P energy: -34.297 tors. eta vs tors. theta energy: -40.032 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: 9, replica: 2 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -608.259114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.259114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.259114 (E_RNA) where: Base-Base interactions energy: -369.231 where: short stacking energy: -185.449 Base-Backbone interact. energy: 0.328 local terms energy: -239.355385 where: bonds (distance) C4'-P energy: -53.776 bonds (distance) P-C4' energy: -66.304 flat angles C4'-P-C4' energy: -65.651 flat angles P-C4'-P energy: -36.432 tors. eta vs tors. theta energy: -17.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -493.333422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.333422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.333422 (E_RNA) where: Base-Base interactions energy: -259.624 where: short stacking energy: -130.980 Base-Backbone interact. energy: 1.137 local terms energy: -234.846594 where: bonds (distance) C4'-P energy: -66.636 bonds (distance) P-C4' energy: -59.135 flat angles C4'-P-C4' energy: -56.032 flat angles P-C4'-P energy: -44.961 tors. eta vs tors. theta energy: -8.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1430.673762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.673762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.673762 (E_RNA) where: Base-Base interactions energy: -999.858 where: short stacking energy: -461.592 Base-Backbone interact. energy: -3.374 local terms energy: -427.442501 where: bonds (distance) C4'-P energy: -71.852 bonds (distance) P-C4' energy: -76.637 flat angles C4'-P-C4' energy: -91.080 flat angles P-C4'-P energy: -52.451 tors. eta vs tors. theta energy: -135.421 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: 6 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1330.444958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.444958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.444958 (E_RNA) where: Base-Base interactions energy: -917.849 where: short stacking energy: -396.109 Base-Backbone interact. energy: -1.692 local terms energy: -410.904347 where: bonds (distance) C4'-P energy: -78.856 bonds (distance) P-C4' energy: -73.564 flat angles C4'-P-C4' energy: -86.900 flat angles P-C4'-P energy: -56.848 tors. eta vs tors. theta energy: -114.737 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: 10 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1363.121128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.121128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.121128 (E_RNA) where: Base-Base interactions energy: -943.554 where: short stacking energy: -395.061 Base-Backbone interact. energy: -1.590 local terms energy: -417.977212 where: bonds (distance) C4'-P energy: -85.312 bonds (distance) P-C4' energy: -74.135 flat angles C4'-P-C4' energy: -83.312 flat angles P-C4'-P energy: -60.533 tors. eta vs tors. theta energy: -114.685 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: 3 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1251.461685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.461685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.461685 (E_RNA) where: Base-Base interactions energy: -865.156 where: short stacking energy: -375.147 Base-Backbone interact. energy: -0.049 local terms energy: -386.256069 where: bonds (distance) C4'-P energy: -75.953 bonds (distance) P-C4' energy: -61.150 flat angles C4'-P-C4' energy: -81.279 flat angles P-C4'-P energy: -52.837 tors. eta vs tors. theta energy: -115.037 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: 8 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1146.711304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.711304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.711304 (E_RNA) where: Base-Base interactions energy: -782.574 where: short stacking energy: -338.482 Base-Backbone interact. energy: -0.703 local terms energy: -363.433954 where: bonds (distance) C4'-P energy: -64.836 bonds (distance) P-C4' energy: -69.077 flat angles C4'-P-C4' energy: -89.119 flat angles P-C4'-P energy: -45.732 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: 6, replica: 5 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1124.499258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.499258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.499258 (E_RNA) where: Base-Base interactions energy: -785.952 where: short stacking energy: -327.390 Base-Backbone interact. energy: -2.349 local terms energy: -336.198183 where: bonds (distance) C4'-P energy: -57.620 bonds (distance) P-C4' energy: -54.868 flat angles C4'-P-C4' energy: -74.860 flat angles P-C4'-P energy: -56.578 tors. eta vs tors. theta energy: -92.273 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: 4 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -991.500997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.500997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.500997 (E_RNA) where: Base-Base interactions energy: -672.771 where: short stacking energy: -288.769 Base-Backbone interact. energy: -1.427 local terms energy: -317.302869 where: bonds (distance) C4'-P energy: -59.438 bonds (distance) P-C4' energy: -76.205 flat angles C4'-P-C4' energy: -70.444 flat angles P-C4'-P energy: -35.799 tors. eta vs tors. theta energy: -75.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -722.490251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.490251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.490251 (E_RNA) where: Base-Base interactions energy: -441.665 where: short stacking energy: -190.964 Base-Backbone interact. energy: -1.063 local terms energy: -279.762574 where: bonds (distance) C4'-P energy: -67.675 bonds (distance) P-C4' energy: -71.557 flat angles C4'-P-C4' energy: -62.274 flat angles P-C4'-P energy: -42.274 tors. eta vs tors. theta energy: -35.983 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: 9, replica: 2 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -588.266607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.266607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.266607 (E_RNA) where: Base-Base interactions energy: -348.736 where: short stacking energy: -181.423 Base-Backbone interact. energy: -2.120 local terms energy: -237.410913 where: bonds (distance) C4'-P energy: -66.525 bonds (distance) P-C4' energy: -70.257 flat angles C4'-P-C4' energy: -64.081 flat angles P-C4'-P energy: -27.923 tors. eta vs tors. theta energy: -8.625 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: 1 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -452.517538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.517538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.517538 (E_RNA) where: Base-Base interactions energy: -219.957 where: short stacking energy: -131.222 Base-Backbone interact. energy: 4.330 local terms energy: -236.890356 where: bonds (distance) C4'-P energy: -68.973 bonds (distance) P-C4' energy: -72.196 flat angles C4'-P-C4' energy: -56.697 flat angles P-C4'-P energy: -35.462 tors. eta vs tors. theta energy: -3.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1421.814495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.814495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.814495 (E_RNA) where: Base-Base interactions energy: -987.740 where: short stacking energy: -441.643 Base-Backbone interact. energy: -1.363 local terms energy: -432.711569 where: bonds (distance) C4'-P energy: -75.810 bonds (distance) P-C4' energy: -62.726 flat angles C4'-P-C4' energy: -89.055 flat angles P-C4'-P energy: -70.612 tors. eta vs tors. theta energy: -134.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1385.028085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.028085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.028085 (E_RNA) where: Base-Base interactions energy: -971.964 where: short stacking energy: -417.696 Base-Backbone interact. energy: -3.458 local terms energy: -409.605753 where: bonds (distance) C4'-P energy: -72.816 bonds (distance) P-C4' energy: -75.646 flat angles C4'-P-C4' energy: -85.576 flat angles P-C4'-P energy: -53.918 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: 3, replica: 6 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1325.011986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.011986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.011986 (E_RNA) where: Base-Base interactions energy: -920.851 where: short stacking energy: -409.755 Base-Backbone interact. energy: -1.395 local terms energy: -402.765994 where: bonds (distance) C4'-P energy: -70.727 bonds (distance) P-C4' energy: -69.891 flat angles C4'-P-C4' energy: -84.757 flat angles P-C4'-P energy: -60.008 tors. eta vs tors. theta energy: -117.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1210.588019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.588019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.588019 (E_RNA) where: Base-Base interactions energy: -825.886 where: short stacking energy: -365.769 Base-Backbone interact. energy: -0.923 local terms energy: -383.779307 where: bonds (distance) C4'-P energy: -77.477 bonds (distance) P-C4' energy: -73.354 flat angles C4'-P-C4' energy: -76.734 flat angles P-C4'-P energy: -54.855 tors. eta vs tors. theta energy: -101.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1142.559498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.559498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.559498 (E_RNA) where: Base-Base interactions energy: -794.581 where: short stacking energy: -319.349 Base-Backbone interact. energy: -1.500 local terms energy: -346.478934 where: bonds (distance) C4'-P energy: -66.903 bonds (distance) P-C4' energy: -65.658 flat angles C4'-P-C4' energy: -69.034 flat angles P-C4'-P energy: -54.612 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: 6, replica: 5 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1181.533742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.533742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.533742 (E_RNA) where: Base-Base interactions energy: -831.838 where: short stacking energy: -345.121 Base-Backbone interact. energy: -0.901 local terms energy: -348.795333 where: bonds (distance) C4'-P energy: -70.278 bonds (distance) P-C4' energy: -56.534 flat angles C4'-P-C4' energy: -73.399 flat angles P-C4'-P energy: -55.542 tors. eta vs tors. theta energy: -93.042 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: 4 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1016.595083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.595083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.595083 (E_RNA) where: Base-Base interactions energy: -687.537 where: short stacking energy: -305.065 Base-Backbone interact. energy: 0.837 local terms energy: -329.894920 where: bonds (distance) C4'-P energy: -65.481 bonds (distance) P-C4' energy: -58.771 flat angles C4'-P-C4' energy: -78.621 flat angles P-C4'-P energy: -43.758 tors. eta vs tors. theta energy: -83.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -746.508469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.508469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.508469 (E_RNA) where: Base-Base interactions energy: -469.473 where: short stacking energy: -203.815 Base-Backbone interact. energy: -1.871 local terms energy: -275.164981 where: bonds (distance) C4'-P energy: -63.046 bonds (distance) P-C4' energy: -70.694 flat angles C4'-P-C4' energy: -55.227 flat angles P-C4'-P energy: -41.448 tors. eta vs tors. theta energy: -44.749 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: 9, replica: 2 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -579.794401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.794401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.794401 (E_RNA) where: Base-Base interactions energy: -348.233 where: short stacking energy: -174.897 Base-Backbone interact. energy: 1.873 local terms energy: -233.434932 where: bonds (distance) C4'-P energy: -55.881 bonds (distance) P-C4' energy: -60.341 flat angles C4'-P-C4' energy: -71.145 flat angles P-C4'-P energy: -42.850 tors. eta vs tors. theta energy: -3.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -444.579192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.579192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.579192 (E_RNA) where: Base-Base interactions energy: -207.052 where: short stacking energy: -110.081 Base-Backbone interact. energy: -2.268 local terms energy: -235.259291 where: bonds (distance) C4'-P energy: -68.734 bonds (distance) P-C4' energy: -61.851 flat angles C4'-P-C4' energy: -61.115 flat angles P-C4'-P energy: -47.036 tors. eta vs tors. theta energy: 3.477 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: 9 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1415.081987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.081987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.081987 (E_RNA) where: Base-Base interactions energy: -964.371 where: short stacking energy: -420.084 Base-Backbone interact. energy: -1.161 local terms energy: -449.550480 where: bonds (distance) C4'-P energy: -79.012 bonds (distance) P-C4' energy: -84.886 flat angles C4'-P-C4' energy: -91.316 flat angles P-C4'-P energy: -64.592 tors. eta vs tors. theta energy: -129.745 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: 10 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1397.637705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.637705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.637705 (E_RNA) where: Base-Base interactions energy: -968.953 where: short stacking energy: -415.402 Base-Backbone interact. energy: -2.236 local terms energy: -426.449104 where: bonds (distance) C4'-P energy: -70.692 bonds (distance) P-C4' energy: -73.267 flat angles C4'-P-C4' energy: -97.389 flat angles P-C4'-P energy: -67.446 tors. eta vs tors. theta energy: -117.655 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: 6 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1296.160126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.160126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.160126 (E_RNA) where: Base-Base interactions energy: -886.607 where: short stacking energy: -397.842 Base-Backbone interact. energy: -3.251 local terms energy: -406.301789 where: bonds (distance) C4'-P energy: -72.328 bonds (distance) P-C4' energy: -66.856 flat angles C4'-P-C4' energy: -90.365 flat angles P-C4'-P energy: -63.905 tors. eta vs tors. theta energy: -112.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1217.382075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.382075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.382075 (E_RNA) where: Base-Base interactions energy: -825.840 where: short stacking energy: -376.422 Base-Backbone interact. energy: -0.228 local terms energy: -391.313604 where: bonds (distance) C4'-P energy: -77.265 bonds (distance) P-C4' energy: -70.120 flat angles C4'-P-C4' energy: -85.764 flat angles P-C4'-P energy: -53.737 tors. eta vs tors. theta energy: -104.427 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: 5 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1207.430793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.430793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.430793 (E_RNA) where: Base-Base interactions energy: -827.038 where: short stacking energy: -365.222 Base-Backbone interact. energy: -0.709 local terms energy: -379.683708 where: bonds (distance) C4'-P energy: -73.845 bonds (distance) P-C4' energy: -65.855 flat angles C4'-P-C4' energy: -80.461 flat angles P-C4'-P energy: -51.816 tors. eta vs tors. theta energy: -107.707 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: 6, replica: 8 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1067.581769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.581769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.581769 (E_RNA) where: Base-Base interactions energy: -714.867 where: short stacking energy: -298.476 Base-Backbone interact. energy: 0.813 local terms energy: -353.527931 where: bonds (distance) C4'-P energy: -73.782 bonds (distance) P-C4' energy: -74.164 flat angles C4'-P-C4' energy: -75.951 flat angles P-C4'-P energy: -56.991 tors. eta vs tors. theta energy: -72.640 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: 4 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1046.854284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.854284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.854284 (E_RNA) where: Base-Base interactions energy: -690.164 where: short stacking energy: -315.936 Base-Backbone interact. energy: -0.937 local terms energy: -355.753380 where: bonds (distance) C4'-P energy: -76.196 bonds (distance) P-C4' energy: -68.321 flat angles C4'-P-C4' energy: -77.919 flat angles P-C4'-P energy: -57.470 tors. eta vs tors. theta energy: -75.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -700.720226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.720226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.720226 (E_RNA) where: Base-Base interactions energy: -441.423 where: short stacking energy: -205.836 Base-Backbone interact. energy: -1.802 local terms energy: -257.495170 where: bonds (distance) C4'-P energy: -56.049 bonds (distance) P-C4' energy: -74.309 flat angles C4'-P-C4' energy: -56.832 flat angles P-C4'-P energy: -48.677 tors. eta vs tors. theta energy: -21.628 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: 2 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -563.905092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.905092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.905092 (E_RNA) where: Base-Base interactions energy: -325.460 where: short stacking energy: -158.909 Base-Backbone interact. energy: -0.682 local terms energy: -237.763418 where: bonds (distance) C4'-P energy: -73.461 bonds (distance) P-C4' energy: -58.103 flat angles C4'-P-C4' energy: -60.990 flat angles P-C4'-P energy: -33.614 tors. eta vs tors. theta energy: -11.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -487.117613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.117613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.117613 (E_RNA) where: Base-Base interactions energy: -268.131 where: short stacking energy: -156.267 Base-Backbone interact. energy: 0.813 local terms energy: -219.798915 where: bonds (distance) C4'-P energy: -66.621 bonds (distance) P-C4' energy: -47.824 flat angles C4'-P-C4' energy: -62.295 flat angles P-C4'-P energy: -38.169 tors. eta vs tors. theta energy: -4.890 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: 9 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1426.273756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.273756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.273756 (E_RNA) where: Base-Base interactions energy: -973.287 where: short stacking energy: -413.810 Base-Backbone interact. energy: -1.888 local terms energy: -451.098770 where: bonds (distance) C4'-P energy: -81.957 bonds (distance) P-C4' energy: -89.306 flat angles C4'-P-C4' energy: -90.938 flat angles P-C4'-P energy: -63.225 tors. eta vs tors. theta energy: -125.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1318.754663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.754663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.754663 (E_RNA) where: Base-Base interactions energy: -908.214 where: short stacking energy: -423.583 Base-Backbone interact. energy: 0.798 local terms energy: -411.338700 where: bonds (distance) C4'-P energy: -80.061 bonds (distance) P-C4' energy: -65.836 flat angles C4'-P-C4' energy: -87.609 flat angles P-C4'-P energy: -64.203 tors. eta vs tors. theta energy: -113.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1356.049512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.049512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.049512 (E_RNA) where: Base-Base interactions energy: -959.700 where: short stacking energy: -390.017 Base-Backbone interact. energy: -0.693 local terms energy: -395.656018 where: bonds (distance) C4'-P energy: -62.593 bonds (distance) P-C4' energy: -75.421 flat angles C4'-P-C4' energy: -81.076 flat angles P-C4'-P energy: -55.739 tors. eta vs tors. theta energy: -120.827 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: 4, replica: 3 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1227.607665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.607665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.607665 (E_RNA) where: Base-Base interactions energy: -841.078 where: short stacking energy: -385.021 Base-Backbone interact. energy: -1.401 local terms energy: -385.128547 where: bonds (distance) C4'-P energy: -71.882 bonds (distance) P-C4' energy: -82.830 flat angles C4'-P-C4' energy: -73.334 flat angles P-C4'-P energy: -54.510 tors. eta vs tors. theta energy: -102.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1197.791327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.791327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.791327 (E_RNA) where: Base-Base interactions energy: -829.473 where: short stacking energy: -352.267 Base-Backbone interact. energy: -3.484 local terms energy: -364.834947 where: bonds (distance) C4'-P energy: -61.453 bonds (distance) P-C4' energy: -82.293 flat angles C4'-P-C4' energy: -69.076 flat angles P-C4'-P energy: -55.785 tors. eta vs tors. theta energy: -96.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1057.443425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.443425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.443425 (E_RNA) where: Base-Base interactions energy: -721.748 where: short stacking energy: -304.210 Base-Backbone interact. energy: -1.313 local terms energy: -334.382172 where: bonds (distance) C4'-P energy: -72.838 bonds (distance) P-C4' energy: -72.583 flat angles C4'-P-C4' energy: -71.452 flat angles P-C4'-P energy: -41.882 tors. eta vs tors. theta energy: -75.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1002.198166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.198166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.198166 (E_RNA) where: Base-Base interactions energy: -670.758 where: short stacking energy: -299.893 Base-Backbone interact. energy: -0.554 local terms energy: -330.886768 where: bonds (distance) C4'-P energy: -66.728 bonds (distance) P-C4' energy: -63.927 flat angles C4'-P-C4' energy: -80.184 flat angles P-C4'-P energy: -50.903 tors. eta vs tors. theta energy: -69.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -703.668435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.668435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.668435 (E_RNA) where: Base-Base interactions energy: -445.643 where: short stacking energy: -216.283 Base-Backbone interact. energy: -0.211 local terms energy: -257.813565 where: bonds (distance) C4'-P energy: -62.580 bonds (distance) P-C4' energy: -62.310 flat angles C4'-P-C4' energy: -63.500 flat angles P-C4'-P energy: -31.278 tors. eta vs tors. theta energy: -38.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -593.945194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.945194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.945194 (E_RNA) where: Base-Base interactions energy: -347.952 where: short stacking energy: -189.493 Base-Backbone interact. energy: -1.056 local terms energy: -244.937136 where: bonds (distance) C4'-P energy: -55.544 bonds (distance) P-C4' energy: -60.857 flat angles C4'-P-C4' energy: -68.068 flat angles P-C4'-P energy: -29.779 tors. eta vs tors. theta energy: -30.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -460.480881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.480881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.480881 (E_RNA) where: Base-Base interactions energy: -238.675 where: short stacking energy: -153.068 Base-Backbone interact. energy: -1.600 local terms energy: -220.205915 where: bonds (distance) C4'-P energy: -55.884 bonds (distance) P-C4' energy: -68.607 flat angles C4'-P-C4' energy: -50.647 flat angles P-C4'-P energy: -28.247 tors. eta vs tors. theta energy: -16.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1422.410517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.410517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.410517 (E_RNA) where: Base-Base interactions energy: -975.453 where: short stacking energy: -436.329 Base-Backbone interact. energy: -1.595 local terms energy: -445.361995 where: bonds (distance) C4'-P energy: -77.896 bonds (distance) P-C4' energy: -87.752 flat angles C4'-P-C4' energy: -86.815 flat angles P-C4'-P energy: -56.989 tors. eta vs tors. theta energy: -135.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1342.156475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.156475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.156475 (E_RNA) where: Base-Base interactions energy: -930.072 where: short stacking energy: -397.498 Base-Backbone interact. energy: -0.637 local terms energy: -411.447638 where: bonds (distance) C4'-P energy: -83.395 bonds (distance) P-C4' energy: -75.400 flat angles C4'-P-C4' energy: -82.404 flat angles P-C4'-P energy: -60.079 tors. eta vs tors. theta energy: -110.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1352.735890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.735890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.735890 (E_RNA) where: Base-Base interactions energy: -933.019 where: short stacking energy: -399.538 Base-Backbone interact. energy: -1.663 local terms energy: -418.054239 where: bonds (distance) C4'-P energy: -75.284 bonds (distance) P-C4' energy: -72.132 flat angles C4'-P-C4' energy: -90.512 flat angles P-C4'-P energy: -61.229 tors. eta vs tors. theta energy: -118.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1251.574984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.574984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.574984 (E_RNA) where: Base-Base interactions energy: -862.717 where: short stacking energy: -347.242 Base-Backbone interact. energy: -2.560 local terms energy: -386.298089 where: bonds (distance) C4'-P energy: -79.906 bonds (distance) P-C4' energy: -76.955 flat angles C4'-P-C4' energy: -82.176 flat angles P-C4'-P energy: -50.053 tors. eta vs tors. theta energy: -97.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1198.027492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.027492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.027492 (E_RNA) where: Base-Base interactions energy: -819.749 where: short stacking energy: -344.669 Base-Backbone interact. energy: -2.550 local terms energy: -375.728250 where: bonds (distance) C4'-P energy: -69.431 bonds (distance) P-C4' energy: -70.260 flat angles C4'-P-C4' energy: -81.840 flat angles P-C4'-P energy: -56.750 tors. eta vs tors. theta energy: -97.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1106.732051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.732051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.732051 (E_RNA) where: Base-Base interactions energy: -756.971 where: short stacking energy: -307.331 Base-Backbone interact. energy: -1.821 local terms energy: -347.939600 where: bonds (distance) C4'-P energy: -64.539 bonds (distance) P-C4' energy: -76.592 flat angles C4'-P-C4' energy: -80.473 flat angles P-C4'-P energy: -47.054 tors. eta vs tors. theta energy: -79.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -984.515395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.515395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.515395 (E_RNA) where: Base-Base interactions energy: -672.152 where: short stacking energy: -285.551 Base-Backbone interact. energy: 3.561 local terms energy: -315.925181 where: bonds (distance) C4'-P energy: -58.535 bonds (distance) P-C4' energy: -69.653 flat angles C4'-P-C4' energy: -73.701 flat angles P-C4'-P energy: -55.760 tors. eta vs tors. theta energy: -58.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -737.911587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.911587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.911587 (E_RNA) where: Base-Base interactions energy: -453.764 where: short stacking energy: -224.355 Base-Backbone interact. energy: -0.648 local terms energy: -283.499687 where: bonds (distance) C4'-P energy: -66.507 bonds (distance) P-C4' energy: -67.426 flat angles C4'-P-C4' energy: -70.505 flat angles P-C4'-P energy: -29.249 tors. eta vs tors. theta energy: -49.812 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: 2 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -570.529535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.529535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.529535 (E_RNA) where: Base-Base interactions energy: -339.107 where: short stacking energy: -181.289 Base-Backbone interact. energy: -0.268 local terms energy: -231.155377 where: bonds (distance) C4'-P energy: -59.023 bonds (distance) P-C4' energy: -60.975 flat angles C4'-P-C4' energy: -65.924 flat angles P-C4'-P energy: -28.098 tors. eta vs tors. theta energy: -17.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -450.122383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.122383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.122383 (E_RNA) where: Base-Base interactions energy: -251.636 where: short stacking energy: -133.213 Base-Backbone interact. energy: -0.213 local terms energy: -198.273025 where: bonds (distance) C4'-P energy: -65.257 bonds (distance) P-C4' energy: -56.850 flat angles C4'-P-C4' energy: -57.163 flat angles P-C4'-P energy: -24.445 tors. eta vs tors. theta energy: 5.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1441.005559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.005559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.005559 (E_RNA) where: Base-Base interactions energy: -1004.508 where: short stacking energy: -422.904 Base-Backbone interact. energy: -1.281 local terms energy: -435.216631 where: bonds (distance) C4'-P energy: -77.551 bonds (distance) P-C4' energy: -84.499 flat angles C4'-P-C4' energy: -90.330 flat angles P-C4'-P energy: -53.702 tors. eta vs tors. theta energy: -129.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1389.382244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.382244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.382244 (E_RNA) where: Base-Base interactions energy: -964.832 where: short stacking energy: -410.900 Base-Backbone interact. energy: -2.898 local terms energy: -421.652245 where: bonds (distance) C4'-P energy: -74.631 bonds (distance) P-C4' energy: -75.846 flat angles C4'-P-C4' energy: -90.014 flat angles P-C4'-P energy: -62.437 tors. eta vs tors. theta energy: -118.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1307.686801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.686801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.686801 (E_RNA) where: Base-Base interactions energy: -880.995 where: short stacking energy: -396.298 Base-Backbone interact. energy: -1.856 local terms energy: -424.835566 where: bonds (distance) C4'-P energy: -74.755 bonds (distance) P-C4' energy: -73.548 flat angles C4'-P-C4' energy: -95.555 flat angles P-C4'-P energy: -61.532 tors. eta vs tors. theta energy: -119.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1251.420973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.420973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.420973 (E_RNA) where: Base-Base interactions energy: -855.370 where: short stacking energy: -351.306 Base-Backbone interact. energy: -0.560 local terms energy: -395.490647 where: bonds (distance) C4'-P energy: -85.035 bonds (distance) P-C4' energy: -80.293 flat angles C4'-P-C4' energy: -76.882 flat angles P-C4'-P energy: -51.453 tors. eta vs tors. theta energy: -101.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1198.278407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.278407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.278407 (E_RNA) where: Base-Base interactions energy: -833.607 where: short stacking energy: -359.046 Base-Backbone interact. energy: -1.858 local terms energy: -362.813259 where: bonds (distance) C4'-P energy: -72.008 bonds (distance) P-C4' energy: -74.109 flat angles C4'-P-C4' energy: -72.073 flat angles P-C4'-P energy: -48.750 tors. eta vs tors. theta energy: -95.874 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: 4 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1066.805582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.805582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.805582 (E_RNA) where: Base-Base interactions energy: -725.823 where: short stacking energy: -346.473 Base-Backbone interact. energy: -1.610 local terms energy: -339.372023 where: bonds (distance) C4'-P energy: -61.848 bonds (distance) P-C4' energy: -55.222 flat angles C4'-P-C4' energy: -80.866 flat angles P-C4'-P energy: -49.483 tors. eta vs tors. theta energy: -91.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1098.929214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.929214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.929214 (E_RNA) where: Base-Base interactions energy: -771.300 where: short stacking energy: -334.696 Base-Backbone interact. energy: -0.340 local terms energy: -327.289106 where: bonds (distance) C4'-P energy: -56.418 bonds (distance) P-C4' energy: -76.946 flat angles C4'-P-C4' energy: -66.138 flat angles P-C4'-P energy: -46.758 tors. eta vs tors. theta energy: -81.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -752.318249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.318249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.318249 (E_RNA) where: Base-Base interactions energy: -470.060 where: short stacking energy: -224.717 Base-Backbone interact. energy: 2.536 local terms energy: -284.794065 where: bonds (distance) C4'-P energy: -65.754 bonds (distance) P-C4' energy: -69.032 flat angles C4'-P-C4' energy: -64.940 flat angles P-C4'-P energy: -39.036 tors. eta vs tors. theta energy: -46.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -556.250014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.250014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.250014 (E_RNA) where: Base-Base interactions energy: -302.755 where: short stacking energy: -149.156 Base-Backbone interact. energy: -1.894 local terms energy: -251.600711 where: bonds (distance) C4'-P energy: -79.833 bonds (distance) P-C4' energy: -69.129 flat angles C4'-P-C4' energy: -61.817 flat angles P-C4'-P energy: -26.357 tors. eta vs tors. theta energy: -14.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -457.791027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.791027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.791027 (E_RNA) where: Base-Base interactions energy: -217.660 where: short stacking energy: -118.658 Base-Backbone interact. energy: -2.740 local terms energy: -237.391052 where: bonds (distance) C4'-P energy: -71.698 bonds (distance) P-C4' energy: -66.235 flat angles C4'-P-C4' energy: -68.246 flat angles P-C4'-P energy: -37.198 tors. eta vs tors. theta energy: 5.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1444.007234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.007234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.007234 (E_RNA) where: Base-Base interactions energy: -1010.506 where: short stacking energy: -445.893 Base-Backbone interact. energy: -1.393 local terms energy: -432.108339 where: bonds (distance) C4'-P energy: -67.965 bonds (distance) P-C4' energy: -85.572 flat angles C4'-P-C4' energy: -89.350 flat angles P-C4'-P energy: -54.973 tors. eta vs tors. theta energy: -134.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1401.851005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.851005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.851005 (E_RNA) where: Base-Base interactions energy: -981.194 where: short stacking energy: -421.195 Base-Backbone interact. energy: -1.132 local terms energy: -419.524756 where: bonds (distance) C4'-P energy: -71.331 bonds (distance) P-C4' energy: -79.483 flat angles C4'-P-C4' energy: -87.240 flat angles P-C4'-P energy: -59.675 tors. eta vs tors. theta energy: -121.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1329.733058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.733058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.733058 (E_RNA) where: Base-Base interactions energy: -907.272 where: short stacking energy: -412.926 Base-Backbone interact. energy: -1.455 local terms energy: -421.006040 where: bonds (distance) C4'-P energy: -66.253 bonds (distance) P-C4' energy: -79.829 flat angles C4'-P-C4' energy: -94.430 flat angles P-C4'-P energy: -59.330 tors. eta vs tors. theta energy: -121.165 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: 3 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1242.431449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.431449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.431449 (E_RNA) where: Base-Base interactions energy: -868.196 where: short stacking energy: -360.802 Base-Backbone interact. energy: 2.110 local terms energy: -376.344958 where: bonds (distance) C4'-P energy: -69.865 bonds (distance) P-C4' energy: -68.998 flat angles C4'-P-C4' energy: -83.973 flat angles P-C4'-P energy: -56.683 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: 5, replica: 5 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1205.416349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.416349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.416349 (E_RNA) where: Base-Base interactions energy: -835.355 where: short stacking energy: -352.239 Base-Backbone interact. energy: -1.414 local terms energy: -368.647894 where: bonds (distance) C4'-P energy: -65.275 bonds (distance) P-C4' energy: -69.882 flat angles C4'-P-C4' energy: -81.401 flat angles P-C4'-P energy: -56.044 tors. eta vs tors. theta energy: -96.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1094.218863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.218863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.218863 (E_RNA) where: Base-Base interactions energy: -732.221 where: short stacking energy: -331.845 Base-Backbone interact. energy: -1.150 local terms energy: -360.848106 where: bonds (distance) C4'-P energy: -70.916 bonds (distance) P-C4' energy: -68.242 flat angles C4'-P-C4' energy: -89.323 flat angles P-C4'-P energy: -48.028 tors. eta vs tors. theta energy: -84.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1056.016972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.016972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.016972 (E_RNA) where: Base-Base interactions energy: -719.868 where: short stacking energy: -316.562 Base-Backbone interact. energy: -1.563 local terms energy: -334.585589 where: bonds (distance) C4'-P energy: -54.105 bonds (distance) P-C4' energy: -64.583 flat angles C4'-P-C4' energy: -81.217 flat angles P-C4'-P energy: -51.721 tors. eta vs tors. theta energy: -82.959 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: 7 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -769.098769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.098769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.098769 (E_RNA) where: Base-Base interactions energy: -477.869 where: short stacking energy: -227.559 Base-Backbone interact. energy: 4.700 local terms energy: -295.930042 where: bonds (distance) C4'-P energy: -58.148 bonds (distance) P-C4' energy: -75.532 flat angles C4'-P-C4' energy: -62.908 flat angles P-C4'-P energy: -51.189 tors. eta vs tors. theta energy: -48.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -593.699370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.699370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.699370 (E_RNA) where: Base-Base interactions energy: -353.292 where: short stacking energy: -173.831 Base-Backbone interact. energy: -0.530 local terms energy: -239.877864 where: bonds (distance) C4'-P energy: -65.002 bonds (distance) P-C4' energy: -73.662 flat angles C4'-P-C4' energy: -53.001 flat angles P-C4'-P energy: -37.324 tors. eta vs tors. theta energy: -10.890 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: 1 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -497.957157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.957157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.957157 (E_RNA) where: Base-Base interactions energy: -293.928 where: short stacking energy: -152.822 Base-Backbone interact. energy: 4.682 local terms energy: -208.711356 where: bonds (distance) C4'-P energy: -56.404 bonds (distance) P-C4' energy: -73.889 flat angles C4'-P-C4' energy: -48.680 flat angles P-C4'-P energy: -26.242 tors. eta vs tors. theta energy: -3.497 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: 9 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1429.627916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.627916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.627916 (E_RNA) where: Base-Base interactions energy: -976.309 where: short stacking energy: -441.583 Base-Backbone interact. energy: -1.225 local terms energy: -452.094270 where: bonds (distance) C4'-P energy: -74.969 bonds (distance) P-C4' energy: -79.770 flat angles C4'-P-C4' energy: -96.274 flat angles P-C4'-P energy: -75.277 tors. eta vs tors. theta energy: -125.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1396.918103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.918103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.918103 (E_RNA) where: Base-Base interactions energy: -972.230 where: short stacking energy: -412.908 Base-Backbone interact. energy: 0.440 local terms energy: -425.127835 where: bonds (distance) C4'-P energy: -78.448 bonds (distance) P-C4' energy: -71.003 flat angles C4'-P-C4' energy: -94.667 flat angles P-C4'-P energy: -60.777 tors. eta vs tors. theta energy: -120.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1313.860292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.860292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.860292 (E_RNA) where: Base-Base interactions energy: -898.340 where: short stacking energy: -406.346 Base-Backbone interact. energy: -0.154 local terms energy: -415.366212 where: bonds (distance) C4'-P energy: -72.118 bonds (distance) P-C4' energy: -80.636 flat angles C4'-P-C4' energy: -91.000 flat angles P-C4'-P energy: -49.469 tors. eta vs tors. theta energy: -122.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1252.007633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.007633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.007633 (E_RNA) where: Base-Base interactions energy: -879.642 where: short stacking energy: -365.964 Base-Backbone interact. energy: -0.304 local terms energy: -372.061523 where: bonds (distance) C4'-P energy: -63.206 bonds (distance) P-C4' energy: -83.705 flat angles C4'-P-C4' energy: -73.460 flat angles P-C4'-P energy: -51.190 tors. eta vs tors. theta energy: -100.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1163.523835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.523835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.523835 (E_RNA) where: Base-Base interactions energy: -831.370 where: short stacking energy: -351.836 Base-Backbone interact. energy: -0.496 local terms energy: -331.658327 where: bonds (distance) C4'-P energy: -56.838 bonds (distance) P-C4' energy: -62.512 flat angles C4'-P-C4' energy: -69.938 flat angles P-C4'-P energy: -49.639 tors. eta vs tors. theta energy: -92.731 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: 4 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1053.551126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.551126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.551126 (E_RNA) where: Base-Base interactions energy: -705.771 where: short stacking energy: -305.177 Base-Backbone interact. energy: -1.076 local terms energy: -346.703782 where: bonds (distance) C4'-P energy: -56.923 bonds (distance) P-C4' energy: -79.455 flat angles C4'-P-C4' energy: -80.570 flat angles P-C4'-P energy: -50.391 tors. eta vs tors. theta energy: -79.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1039.429005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.429005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.429005 (E_RNA) where: Base-Base interactions energy: -718.703 where: short stacking energy: -297.257 Base-Backbone interact. energy: -1.494 local terms energy: -319.232297 where: bonds (distance) C4'-P energy: -55.968 bonds (distance) P-C4' energy: -73.144 flat angles C4'-P-C4' energy: -67.628 flat angles P-C4'-P energy: -44.784 tors. eta vs tors. theta energy: -77.709 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: 8, replica: 7 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -762.873586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.873586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.873586 (E_RNA) where: Base-Base interactions energy: -478.493 where: short stacking energy: -219.383 Base-Backbone interact. energy: -4.227 local terms energy: -280.152944 where: bonds (distance) C4'-P energy: -66.622 bonds (distance) P-C4' energy: -63.554 flat angles C4'-P-C4' energy: -59.984 flat angles P-C4'-P energy: -43.534 tors. eta vs tors. theta energy: -46.459 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: 9, replica: 2 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -547.683998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.683998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.683998 (E_RNA) where: Base-Base interactions energy: -327.940 where: short stacking energy: -175.994 Base-Backbone interact. energy: 5.708 local terms energy: -225.452650 where: bonds (distance) C4'-P energy: -39.854 bonds (distance) P-C4' energy: -78.330 flat angles C4'-P-C4' energy: -54.262 flat angles P-C4'-P energy: -30.199 tors. eta vs tors. theta energy: -22.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -527.357040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.357040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.357040 (E_RNA) where: Base-Base interactions energy: -271.726 where: short stacking energy: -153.337 Base-Backbone interact. energy: -0.427 local terms energy: -255.204451 where: bonds (distance) C4'-P energy: -71.308 bonds (distance) P-C4' energy: -61.675 flat angles C4'-P-C4' energy: -60.212 flat angles P-C4'-P energy: -41.328 tors. eta vs tors. theta energy: -20.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1453.821548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.821548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.821548 (E_RNA) where: Base-Base interactions energy: -1008.677 where: short stacking energy: -433.476 Base-Backbone interact. energy: -1.087 local terms energy: -444.057933 where: bonds (distance) C4'-P energy: -61.251 bonds (distance) P-C4' energy: -86.984 flat angles C4'-P-C4' energy: -99.012 flat angles P-C4'-P energy: -64.522 tors. eta vs tors. theta energy: -132.289 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: 414 Temperature: 0.950000 Total energy: -1426.843494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.843494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.843494 (E_RNA) where: Base-Base interactions energy: -981.927 where: short stacking energy: -422.612 Base-Backbone interact. energy: -1.777 local terms energy: -443.138880 where: bonds (distance) C4'-P energy: -76.986 bonds (distance) P-C4' energy: -77.284 flat angles C4'-P-C4' energy: -96.504 flat angles P-C4'-P energy: -62.509 tors. eta vs tors. theta energy: -129.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1326.589777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.589777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.589777 (E_RNA) where: Base-Base interactions energy: -901.288 where: short stacking energy: -413.666 Base-Backbone interact. energy: -0.625 local terms energy: -424.676983 where: bonds (distance) C4'-P energy: -72.748 bonds (distance) P-C4' energy: -71.464 flat angles C4'-P-C4' energy: -88.807 flat angles P-C4'-P energy: -66.398 tors. eta vs tors. theta energy: -125.259 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: 3 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1196.464103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.464103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.464103 (E_RNA) where: Base-Base interactions energy: -819.070 where: short stacking energy: -341.460 Base-Backbone interact. energy: -5.078 local terms energy: -372.315375 where: bonds (distance) C4'-P energy: -62.790 bonds (distance) P-C4' energy: -72.773 flat angles C4'-P-C4' energy: -85.794 flat angles P-C4'-P energy: -59.560 tors. eta vs tors. theta energy: -91.398 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: 5, replica: 5 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1200.897760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.897760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.897760 (E_RNA) where: Base-Base interactions energy: -814.388 where: short stacking energy: -352.046 Base-Backbone interact. energy: -0.527 local terms energy: -385.983354 where: bonds (distance) C4'-P energy: -73.644 bonds (distance) P-C4' energy: -78.401 flat angles C4'-P-C4' energy: -78.744 flat angles P-C4'-P energy: -58.505 tors. eta vs tors. theta energy: -96.688 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: 6, replica: 4 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1079.807707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.807707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.807707 (E_RNA) where: Base-Base interactions energy: -716.212 where: short stacking energy: -330.450 Base-Backbone interact. energy: -2.989 local terms energy: -360.607199 where: bonds (distance) C4'-P energy: -69.999 bonds (distance) P-C4' energy: -71.069 flat angles C4'-P-C4' energy: -70.495 flat angles P-C4'-P energy: -56.324 tors. eta vs tors. theta energy: -92.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1011.981102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.981102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.981102 (E_RNA) where: Base-Base interactions energy: -696.670 where: short stacking energy: -292.067 Base-Backbone interact. energy: 6.781 local terms energy: -322.091949 where: bonds (distance) C4'-P energy: -72.820 bonds (distance) P-C4' energy: -59.927 flat angles C4'-P-C4' energy: -66.177 flat angles P-C4'-P energy: -50.645 tors. eta vs tors. theta energy: -72.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -726.976487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.976487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.976487 (E_RNA) where: Base-Base interactions energy: -453.759 where: short stacking energy: -200.236 Base-Backbone interact. energy: 3.289 local terms energy: -276.506125 where: bonds (distance) C4'-P energy: -67.332 bonds (distance) P-C4' energy: -64.270 flat angles C4'-P-C4' energy: -68.728 flat angles P-C4'-P energy: -47.133 tors. eta vs tors. theta energy: -29.043 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: 2 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -583.364112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.364112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.364112 (E_RNA) where: Base-Base interactions energy: -337.782 where: short stacking energy: -179.248 Base-Backbone interact. energy: 1.714 local terms energy: -247.296693 where: bonds (distance) C4'-P energy: -57.870 bonds (distance) P-C4' energy: -62.188 flat angles C4'-P-C4' energy: -65.626 flat angles P-C4'-P energy: -29.306 tors. eta vs tors. theta energy: -32.308 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: 1 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -460.163386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.163386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.163386 (E_RNA) where: Base-Base interactions energy: -233.594 where: short stacking energy: -129.542 Base-Backbone interact. energy: 0.500 local terms energy: -227.068676 where: bonds (distance) C4'-P energy: -71.445 bonds (distance) P-C4' energy: -67.245 flat angles C4'-P-C4' energy: -63.259 flat angles P-C4'-P energy: -29.883 tors. eta vs tors. theta energy: 4.764 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: 1, replica: 9 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1448.549016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.549016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.549016 (E_RNA) where: Base-Base interactions energy: -1001.281 where: short stacking energy: -432.763 Base-Backbone interact. energy: -2.513 local terms energy: -444.754659 where: bonds (distance) C4'-P energy: -78.473 bonds (distance) P-C4' energy: -76.437 flat angles C4'-P-C4' energy: -91.182 flat angles P-C4'-P energy: -68.404 tors. eta vs tors. theta energy: -130.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1396.107494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.107494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.107494 (E_RNA) where: Base-Base interactions energy: -964.439 where: short stacking energy: -414.865 Base-Backbone interact. energy: -0.478 local terms energy: -431.190082 where: bonds (distance) C4'-P energy: -70.016 bonds (distance) P-C4' energy: -80.436 flat angles C4'-P-C4' energy: -92.757 flat angles P-C4'-P energy: -59.057 tors. eta vs tors. theta energy: -128.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1294.508615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.508615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.508615 (E_RNA) where: Base-Base interactions energy: -881.700 where: short stacking energy: -410.852 Base-Backbone interact. energy: -1.038 local terms energy: -411.770633 where: bonds (distance) C4'-P energy: -78.528 bonds (distance) P-C4' energy: -80.043 flat angles C4'-P-C4' energy: -87.389 flat angles P-C4'-P energy: -49.517 tors. eta vs tors. theta energy: -116.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1266.319914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.319914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.319914 (E_RNA) where: Base-Base interactions energy: -866.680 where: short stacking energy: -367.569 Base-Backbone interact. energy: -0.994 local terms energy: -398.645153 where: bonds (distance) C4'-P energy: -70.165 bonds (distance) P-C4' energy: -76.214 flat angles C4'-P-C4' energy: -78.750 flat angles P-C4'-P energy: -64.751 tors. eta vs tors. theta energy: -108.766 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: 415 Temperature: 1.100000 Total energy: -1193.834472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.834472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.834472 (E_RNA) where: Base-Base interactions energy: -808.259 where: short stacking energy: -368.370 Base-Backbone interact. energy: -1.321 local terms energy: -384.254416 where: bonds (distance) C4'-P energy: -61.831 bonds (distance) P-C4' energy: -70.360 flat angles C4'-P-C4' energy: -95.522 flat angles P-C4'-P energy: -57.421 tors. eta vs tors. theta energy: -99.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1111.047455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.047455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.047455 (E_RNA) where: Base-Base interactions energy: -772.325 where: short stacking energy: -304.735 Base-Backbone interact. energy: -0.060 local terms energy: -338.662278 where: bonds (distance) C4'-P energy: -62.793 bonds (distance) P-C4' energy: -73.069 flat angles C4'-P-C4' energy: -67.978 flat angles P-C4'-P energy: -49.882 tors. eta vs tors. theta energy: -84.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1032.248987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.248987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.248987 (E_RNA) where: Base-Base interactions energy: -713.666 where: short stacking energy: -319.475 Base-Backbone interact. energy: -0.867 local terms energy: -317.716141 where: bonds (distance) C4'-P energy: -58.973 bonds (distance) P-C4' energy: -59.617 flat angles C4'-P-C4' energy: -80.702 flat angles P-C4'-P energy: -40.545 tors. eta vs tors. theta energy: -77.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -760.595857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.595857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.595857 (E_RNA) where: Base-Base interactions energy: -482.376 where: short stacking energy: -231.165 Base-Backbone interact. energy: 1.112 local terms energy: -279.332258 where: bonds (distance) C4'-P energy: -60.130 bonds (distance) P-C4' energy: -70.789 flat angles C4'-P-C4' energy: -67.437 flat angles P-C4'-P energy: -39.552 tors. eta vs tors. theta energy: -41.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -574.934956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.934956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.934956 (E_RNA) where: Base-Base interactions energy: -322.457 where: short stacking energy: -177.781 Base-Backbone interact. energy: -0.367 local terms energy: -252.111541 where: bonds (distance) C4'-P energy: -64.431 bonds (distance) P-C4' energy: -77.169 flat angles C4'-P-C4' energy: -61.453 flat angles P-C4'-P energy: -34.008 tors. eta vs tors. theta energy: -15.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -515.671293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.671293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.671293 (E_RNA) where: Base-Base interactions energy: -287.702 where: short stacking energy: -158.455 Base-Backbone interact. energy: 2.292 local terms energy: -230.261186 where: bonds (distance) C4'-P energy: -56.751 bonds (distance) P-C4' energy: -64.857 flat angles C4'-P-C4' energy: -53.167 flat angles P-C4'-P energy: -25.875 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: 9 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1404.690851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.690851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.690851 (E_RNA) where: Base-Base interactions energy: -957.049 where: short stacking energy: -435.223 Base-Backbone interact. energy: -2.275 local terms energy: -445.366959 where: bonds (distance) C4'-P energy: -75.192 bonds (distance) P-C4' energy: -75.857 flat angles C4'-P-C4' energy: -96.133 flat angles P-C4'-P energy: -68.400 tors. eta vs tors. theta energy: -129.784 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: 2, replica: 10 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1384.427520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.427520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.427520 (E_RNA) where: Base-Base interactions energy: -964.549 where: short stacking energy: -409.797 Base-Backbone interact. energy: -3.569 local terms energy: -416.310342 where: bonds (distance) C4'-P energy: -75.259 bonds (distance) P-C4' energy: -76.570 flat angles C4'-P-C4' energy: -85.032 flat angles P-C4'-P energy: -64.101 tors. eta vs tors. theta energy: -115.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1278.119117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.119117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.119117 (E_RNA) where: Base-Base interactions energy: -870.983 where: short stacking energy: -392.097 Base-Backbone interact. energy: -1.140 local terms energy: -405.995564 where: bonds (distance) C4'-P energy: -72.387 bonds (distance) P-C4' energy: -76.513 flat angles C4'-P-C4' energy: -94.553 flat angles P-C4'-P energy: -51.563 tors. eta vs tors. theta energy: -110.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1238.811084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.811084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.811084 (E_RNA) where: Base-Base interactions energy: -830.047 where: short stacking energy: -368.567 Base-Backbone interact. energy: 1.280 local terms energy: -410.044727 where: bonds (distance) C4'-P energy: -80.468 bonds (distance) P-C4' energy: -82.522 flat angles C4'-P-C4' energy: -87.433 flat angles P-C4'-P energy: -49.833 tors. eta vs tors. theta energy: -109.788 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: 416 Temperature: 1.100000 Total energy: -1200.554406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.554406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.554406 (E_RNA) where: Base-Base interactions energy: -794.132 where: short stacking energy: -373.135 Base-Backbone interact. energy: -0.848 local terms energy: -405.573645 where: bonds (distance) C4'-P energy: -80.269 bonds (distance) P-C4' energy: -86.239 flat angles C4'-P-C4' energy: -81.545 flat angles P-C4'-P energy: -52.991 tors. eta vs tors. theta energy: -104.530 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: 8 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1107.217886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.217886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.217886 (E_RNA) where: Base-Base interactions energy: -786.178 where: short stacking energy: -311.373 Base-Backbone interact. energy: -0.535 local terms energy: -320.505344 where: bonds (distance) C4'-P energy: -68.127 bonds (distance) P-C4' energy: -62.192 flat angles C4'-P-C4' energy: -70.168 flat angles P-C4'-P energy: -55.429 tors. eta vs tors. theta energy: -64.590 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: 4 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1062.842461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.842461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.842461 (E_RNA) where: Base-Base interactions energy: -702.520 where: short stacking energy: -326.233 Base-Backbone interact. energy: -0.500 local terms energy: -359.822053 where: bonds (distance) C4'-P energy: -64.474 bonds (distance) P-C4' energy: -77.099 flat angles C4'-P-C4' energy: -85.344 flat angles P-C4'-P energy: -42.913 tors. eta vs tors. theta energy: -89.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -703.152709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.152709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.152709 (E_RNA) where: Base-Base interactions energy: -418.393 where: short stacking energy: -203.776 Base-Backbone interact. energy: -1.959 local terms energy: -282.800424 where: bonds (distance) C4'-P energy: -62.783 bonds (distance) P-C4' energy: -74.673 flat angles C4'-P-C4' energy: -65.564 flat angles P-C4'-P energy: -36.727 tors. eta vs tors. theta energy: -43.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -599.092380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.092380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.092380 (E_RNA) where: Base-Base interactions energy: -339.205 where: short stacking energy: -174.377 Base-Backbone interact. energy: -1.210 local terms energy: -258.677198 where: bonds (distance) C4'-P energy: -67.925 bonds (distance) P-C4' energy: -71.089 flat angles C4'-P-C4' energy: -61.527 flat angles P-C4'-P energy: -42.263 tors. eta vs tors. theta energy: -15.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -485.015936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.015936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.015936 (E_RNA) where: Base-Base interactions energy: -254.670 where: short stacking energy: -145.744 Base-Backbone interact. energy: -1.679 local terms energy: -228.667079 where: bonds (distance) C4'-P energy: -66.343 bonds (distance) P-C4' energy: -59.704 flat angles C4'-P-C4' energy: -52.236 flat angles P-C4'-P energy: -38.948 tors. eta vs tors. theta energy: -11.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1422.415766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.415766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.415766 (E_RNA) where: Base-Base interactions energy: -973.128 where: short stacking energy: -418.918 Base-Backbone interact. energy: -1.815 local terms energy: -447.473033 where: bonds (distance) C4'-P energy: -73.962 bonds (distance) P-C4' energy: -87.521 flat angles C4'-P-C4' energy: -90.417 flat angles P-C4'-P energy: -63.853 tors. eta vs tors. theta energy: -131.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1385.875513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.875513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.875513 (E_RNA) where: Base-Base interactions energy: -951.673 where: short stacking energy: -420.750 Base-Backbone interact. energy: -0.832 local terms energy: -433.370728 where: bonds (distance) C4'-P energy: -67.969 bonds (distance) P-C4' energy: -78.034 flat angles C4'-P-C4' energy: -94.434 flat angles P-C4'-P energy: -67.617 tors. eta vs tors. theta energy: -125.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1280.173739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.173739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.173739 (E_RNA) where: Base-Base interactions energy: -883.997 where: short stacking energy: -375.207 Base-Backbone interact. energy: -3.330 local terms energy: -392.846530 where: bonds (distance) C4'-P energy: -71.355 bonds (distance) P-C4' energy: -73.506 flat angles C4'-P-C4' energy: -88.132 flat angles P-C4'-P energy: -52.062 tors. eta vs tors. theta energy: -107.791 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: 6 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1232.838902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.838902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.838902 (E_RNA) where: Base-Base interactions energy: -849.557 where: short stacking energy: -379.964 Base-Backbone interact. energy: -0.827 local terms energy: -382.454580 where: bonds (distance) C4'-P energy: -66.355 bonds (distance) P-C4' energy: -76.497 flat angles C4'-P-C4' energy: -80.766 flat angles P-C4'-P energy: -51.293 tors. eta vs tors. theta energy: -107.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1208.244516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.244516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.244516 (E_RNA) where: Base-Base interactions energy: -811.183 where: short stacking energy: -349.554 Base-Backbone interact. energy: -4.030 local terms energy: -393.031818 where: bonds (distance) C4'-P energy: -76.087 bonds (distance) P-C4' energy: -81.021 flat angles C4'-P-C4' energy: -85.136 flat angles P-C4'-P energy: -50.178 tors. eta vs tors. theta energy: -100.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1084.621059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.621059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.621059 (E_RNA) where: Base-Base interactions energy: -746.696 where: short stacking energy: -339.788 Base-Backbone interact. energy: 0.605 local terms energy: -338.530075 where: bonds (distance) C4'-P energy: -55.459 bonds (distance) P-C4' energy: -55.765 flat angles C4'-P-C4' energy: -84.573 flat angles P-C4'-P energy: -56.807 tors. eta vs tors. theta energy: -85.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1083.531019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.531019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.531019 (E_RNA) where: Base-Base interactions energy: -751.029 where: short stacking energy: -309.476 Base-Backbone interact. energy: 2.479 local terms energy: -334.981263 where: bonds (distance) C4'-P energy: -77.979 bonds (distance) P-C4' energy: -60.624 flat angles C4'-P-C4' energy: -57.898 flat angles P-C4'-P energy: -60.408 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: 8, replica: 7 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -722.869872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.869872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.869872 (E_RNA) where: Base-Base interactions energy: -462.356 where: short stacking energy: -198.845 Base-Backbone interact. energy: -2.318 local terms energy: -258.196799 where: bonds (distance) C4'-P energy: -62.336 bonds (distance) P-C4' energy: -67.661 flat angles C4'-P-C4' energy: -78.576 flat angles P-C4'-P energy: -30.869 tors. eta vs tors. theta energy: -18.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -578.544540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.544540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.544540 (E_RNA) where: Base-Base interactions energy: -342.485 where: short stacking energy: -170.405 Base-Backbone interact. energy: 0.403 local terms energy: -236.462933 where: bonds (distance) C4'-P energy: -56.472 bonds (distance) P-C4' energy: -56.201 flat angles C4'-P-C4' energy: -72.800 flat angles P-C4'-P energy: -32.399 tors. eta vs tors. theta energy: -18.591 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: 1 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -461.975075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.975075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.975075 (E_RNA) where: Base-Base interactions energy: -225.689 where: short stacking energy: -138.399 Base-Backbone interact. energy: 2.181 local terms energy: -238.466346 where: bonds (distance) C4'-P energy: -61.084 bonds (distance) P-C4' energy: -76.821 flat angles C4'-P-C4' energy: -56.486 flat angles P-C4'-P energy: -43.570 tors. eta vs tors. theta energy: -0.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1411.168272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.168272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.168272 (E_RNA) where: Base-Base interactions energy: -972.879 where: short stacking energy: -423.900 Base-Backbone interact. energy: -0.483 local terms energy: -437.806773 where: bonds (distance) C4'-P energy: -76.496 bonds (distance) P-C4' energy: -83.448 flat angles C4'-P-C4' energy: -91.653 flat angles P-C4'-P energy: -62.524 tors. eta vs tors. theta energy: -123.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1426.018899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.018899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.018899 (E_RNA) where: Base-Base interactions energy: -981.227 where: short stacking energy: -430.419 Base-Backbone interact. energy: -1.818 local terms energy: -442.974526 where: bonds (distance) C4'-P energy: -78.953 bonds (distance) P-C4' energy: -72.814 flat angles C4'-P-C4' energy: -93.629 flat angles P-C4'-P energy: -63.995 tors. eta vs tors. theta energy: -133.582 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: 6 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1291.785621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.785621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.785621 (E_RNA) where: Base-Base interactions energy: -873.646 where: short stacking energy: -392.574 Base-Backbone interact. energy: -1.026 local terms energy: -417.113264 where: bonds (distance) C4'-P energy: -87.347 bonds (distance) P-C4' energy: -78.220 flat angles C4'-P-C4' energy: -82.623 flat angles P-C4'-P energy: -61.007 tors. eta vs tors. theta energy: -107.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1253.483331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.483331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.483331 (E_RNA) where: Base-Base interactions energy: -856.647 where: short stacking energy: -372.369 Base-Backbone interact. energy: -3.426 local terms energy: -393.411097 where: bonds (distance) C4'-P energy: -58.294 bonds (distance) P-C4' energy: -82.771 flat angles C4'-P-C4' energy: -83.103 flat angles P-C4'-P energy: -60.772 tors. eta vs tors. theta energy: -108.472 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: 5 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1209.557396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.557396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.557396 (E_RNA) where: Base-Base interactions energy: -836.363 where: short stacking energy: -358.663 Base-Backbone interact. energy: 1.401 local terms energy: -374.595320 where: bonds (distance) C4'-P energy: -65.367 bonds (distance) P-C4' energy: -69.788 flat angles C4'-P-C4' energy: -80.129 flat angles P-C4'-P energy: -56.759 tors. eta vs tors. theta energy: -102.552 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: 4 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1105.096460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.096460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.096460 (E_RNA) where: Base-Base interactions energy: -734.108 where: short stacking energy: -347.504 Base-Backbone interact. energy: -0.462 local terms energy: -370.526213 where: bonds (distance) C4'-P energy: -75.710 bonds (distance) P-C4' energy: -78.348 flat angles C4'-P-C4' energy: -85.921 flat angles P-C4'-P energy: -36.481 tors. eta vs tors. theta energy: -94.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1041.173446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.173446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.173446 (E_RNA) where: Base-Base interactions energy: -719.142 where: short stacking energy: -287.785 Base-Backbone interact. energy: 1.431 local terms energy: -323.462597 where: bonds (distance) C4'-P energy: -67.902 bonds (distance) P-C4' energy: -70.849 flat angles C4'-P-C4' energy: -81.253 flat angles P-C4'-P energy: -47.002 tors. eta vs tors. theta energy: -56.457 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: 7 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -728.253751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.253751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.253751 (E_RNA) where: Base-Base interactions energy: -453.915 where: short stacking energy: -193.406 Base-Backbone interact. energy: -1.452 local terms energy: -272.886891 where: bonds (distance) C4'-P energy: -71.245 bonds (distance) P-C4' energy: -71.603 flat angles C4'-P-C4' energy: -66.875 flat angles P-C4'-P energy: -35.045 tors. eta vs tors. theta energy: -28.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -609.530725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.530725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.530725 (E_RNA) where: Base-Base interactions energy: -340.129 where: short stacking energy: -167.053 Base-Backbone interact. energy: -1.616 local terms energy: -267.786058 where: bonds (distance) C4'-P energy: -72.149 bonds (distance) P-C4' energy: -68.235 flat angles C4'-P-C4' energy: -51.172 flat angles P-C4'-P energy: -51.681 tors. eta vs tors. theta energy: -24.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -471.512995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.512995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.512995 (E_RNA) where: Base-Base interactions energy: -257.022 where: short stacking energy: -169.492 Base-Backbone interact. energy: -1.586 local terms energy: -212.904871 where: bonds (distance) C4'-P energy: -61.682 bonds (distance) P-C4' energy: -57.420 flat angles C4'-P-C4' energy: -57.810 flat angles P-C4'-P energy: -23.021 tors. eta vs tors. theta energy: -12.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1423.556805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.556805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.556805 (E_RNA) where: Base-Base interactions energy: -985.712 where: short stacking energy: -428.643 Base-Backbone interact. energy: -1.734 local terms energy: -436.110535 where: bonds (distance) C4'-P energy: -78.214 bonds (distance) P-C4' energy: -79.423 flat angles C4'-P-C4' energy: -91.541 flat angles P-C4'-P energy: -62.839 tors. eta vs tors. theta energy: -124.094 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: 9 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1373.390846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.390846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.390846 (E_RNA) where: Base-Base interactions energy: -943.791 where: short stacking energy: -411.301 Base-Backbone interact. energy: -1.087 local terms energy: -428.513312 where: bonds (distance) C4'-P energy: -68.811 bonds (distance) P-C4' energy: -76.579 flat angles C4'-P-C4' energy: -90.482 flat angles P-C4'-P energy: -63.678 tors. eta vs tors. theta energy: -128.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1274.772337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.772337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.772337 (E_RNA) where: Base-Base interactions energy: -870.123 where: short stacking energy: -374.442 Base-Backbone interact. energy: -2.340 local terms energy: -402.309616 where: bonds (distance) C4'-P energy: -73.444 bonds (distance) P-C4' energy: -79.778 flat angles C4'-P-C4' energy: -89.289 flat angles P-C4'-P energy: -44.270 tors. eta vs tors. theta energy: -115.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1251.538938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.538938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.538938 (E_RNA) where: Base-Base interactions energy: -874.764 where: short stacking energy: -380.845 Base-Backbone interact. energy: -1.579 local terms energy: -375.195994 where: bonds (distance) C4'-P energy: -72.553 bonds (distance) P-C4' energy: -67.719 flat angles C4'-P-C4' energy: -85.269 flat angles P-C4'-P energy: -45.288 tors. eta vs tors. theta energy: -104.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1224.161164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.161164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.161164 (E_RNA) where: Base-Base interactions energy: -866.234 where: short stacking energy: -372.684 Base-Backbone interact. energy: -0.124 local terms energy: -357.803553 where: bonds (distance) C4'-P energy: -61.247 bonds (distance) P-C4' energy: -60.585 flat angles C4'-P-C4' energy: -79.350 flat angles P-C4'-P energy: -53.141 tors. eta vs tors. theta energy: -103.480 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: 4 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1102.333316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.333316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.333316 (E_RNA) where: Base-Base interactions energy: -741.026 where: short stacking energy: -346.781 Base-Backbone interact. energy: 3.102 local terms energy: -364.408891 where: bonds (distance) C4'-P energy: -70.150 bonds (distance) P-C4' energy: -69.309 flat angles C4'-P-C4' energy: -81.705 flat angles P-C4'-P energy: -50.798 tors. eta vs tors. theta energy: -92.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1059.864615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.864615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.864615 (E_RNA) where: Base-Base interactions energy: -713.180 where: short stacking energy: -300.603 Base-Backbone interact. energy: -0.923 local terms energy: -345.761883 where: bonds (distance) C4'-P energy: -61.824 bonds (distance) P-C4' energy: -72.063 flat angles C4'-P-C4' energy: -78.248 flat angles P-C4'-P energy: -51.739 tors. eta vs tors. theta energy: -81.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -710.521906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.521906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.521906 (E_RNA) where: Base-Base interactions energy: -439.200 where: short stacking energy: -207.512 Base-Backbone interact. energy: -0.765 local terms energy: -270.557738 where: bonds (distance) C4'-P energy: -54.898 bonds (distance) P-C4' energy: -74.352 flat angles C4'-P-C4' energy: -73.598 flat angles P-C4'-P energy: -36.466 tors. eta vs tors. theta energy: -31.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -612.226721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.226721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.226721 (E_RNA) where: Base-Base interactions energy: -355.281 where: short stacking energy: -179.177 Base-Backbone interact. energy: -2.099 local terms energy: -254.846940 where: bonds (distance) C4'-P energy: -63.870 bonds (distance) P-C4' energy: -63.807 flat angles C4'-P-C4' energy: -68.148 flat angles P-C4'-P energy: -33.451 tors. eta vs tors. theta energy: -25.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -473.242509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.242509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.242509 (E_RNA) where: Base-Base interactions energy: -238.462 where: short stacking energy: -140.197 Base-Backbone interact. energy: 0.751 local terms energy: -235.531199 where: bonds (distance) C4'-P energy: -51.331 bonds (distance) P-C4' energy: -75.332 flat angles C4'-P-C4' energy: -55.948 flat angles P-C4'-P energy: -36.593 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: 1, replica: 10 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1415.116277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.116277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.116277 (E_RNA) where: Base-Base interactions energy: -959.335 where: short stacking energy: -424.067 Base-Backbone interact. energy: -0.098 local terms energy: -455.683259 where: bonds (distance) C4'-P energy: -76.418 bonds (distance) P-C4' energy: -88.600 flat angles C4'-P-C4' energy: -93.534 flat angles P-C4'-P energy: -69.290 tors. eta vs tors. theta energy: -127.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1391.257826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.257826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.257826 (E_RNA) where: Base-Base interactions energy: -979.723 where: short stacking energy: -417.996 Base-Backbone interact. energy: -1.069 local terms energy: -410.465806 where: bonds (distance) C4'-P energy: -64.064 bonds (distance) P-C4' energy: -74.523 flat angles C4'-P-C4' energy: -84.838 flat angles P-C4'-P energy: -60.163 tors. eta vs tors. theta energy: -126.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1263.234766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.234766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.234766 (E_RNA) where: Base-Base interactions energy: -854.868 where: short stacking energy: -373.853 Base-Backbone interact. energy: 0.385 local terms energy: -408.751459 where: bonds (distance) C4'-P energy: -70.812 bonds (distance) P-C4' energy: -91.592 flat angles C4'-P-C4' energy: -84.495 flat angles P-C4'-P energy: -58.830 tors. eta vs tors. theta energy: -103.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1234.598682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.598682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.598682 (E_RNA) where: Base-Base interactions energy: -852.116 where: short stacking energy: -341.096 Base-Backbone interact. energy: -2.315 local terms energy: -380.168011 where: bonds (distance) C4'-P energy: -72.981 bonds (distance) P-C4' energy: -70.219 flat angles C4'-P-C4' energy: -88.336 flat angles P-C4'-P energy: -54.379 tors. eta vs tors. theta energy: -94.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1240.324511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.324511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.324511 (E_RNA) where: Base-Base interactions energy: -843.518 where: short stacking energy: -371.174 Base-Backbone interact. energy: -2.491 local terms energy: -394.315366 where: bonds (distance) C4'-P energy: -70.284 bonds (distance) P-C4' energy: -73.102 flat angles C4'-P-C4' energy: -91.334 flat angles P-C4'-P energy: -49.931 tors. eta vs tors. theta energy: -109.665 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: 4 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1095.574004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.574004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.574004 (E_RNA) where: Base-Base interactions energy: -754.218 where: short stacking energy: -337.143 Base-Backbone interact. energy: -0.884 local terms energy: -340.471756 where: bonds (distance) C4'-P energy: -68.133 bonds (distance) P-C4' energy: -60.288 flat angles C4'-P-C4' energy: -72.636 flat angles P-C4'-P energy: -54.499 tors. eta vs tors. theta energy: -84.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1049.296530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.296530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.296530 (E_RNA) where: Base-Base interactions energy: -702.361 where: short stacking energy: -315.954 Base-Backbone interact. energy: 0.815 local terms energy: -347.750399 where: bonds (distance) C4'-P energy: -71.468 bonds (distance) P-C4' energy: -62.226 flat angles C4'-P-C4' energy: -82.894 flat angles P-C4'-P energy: -50.209 tors. eta vs tors. theta energy: -80.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -716.975106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.975106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.975106 (E_RNA) where: Base-Base interactions energy: -435.467 where: short stacking energy: -203.111 Base-Backbone interact. energy: 0.010 local terms energy: -281.517592 where: bonds (distance) C4'-P energy: -67.803 bonds (distance) P-C4' energy: -68.263 flat angles C4'-P-C4' energy: -77.011 flat angles P-C4'-P energy: -38.234 tors. eta vs tors. theta energy: -30.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -593.504501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.504501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.504501 (E_RNA) where: Base-Base interactions energy: -340.187 where: short stacking energy: -184.517 Base-Backbone interact. energy: -1.166 local terms energy: -252.151711 where: bonds (distance) C4'-P energy: -67.030 bonds (distance) P-C4' energy: -60.021 flat angles C4'-P-C4' energy: -59.066 flat angles P-C4'-P energy: -42.365 tors. eta vs tors. theta energy: -23.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -453.616555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.616555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.616555 (E_RNA) where: Base-Base interactions energy: -238.143 where: short stacking energy: -141.393 Base-Backbone interact. energy: -0.629 local terms energy: -214.844735 where: bonds (distance) C4'-P energy: -68.295 bonds (distance) P-C4' energy: -61.907 flat angles C4'-P-C4' energy: -55.500 flat angles P-C4'-P energy: -33.015 tors. eta vs tors. theta energy: 3.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1442.324034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.324034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.324034 (E_RNA) where: Base-Base interactions energy: -1005.818 where: short stacking energy: -442.007 Base-Backbone interact. energy: -1.666 local terms energy: -434.840319 where: bonds (distance) C4'-P energy: -73.785 bonds (distance) P-C4' energy: -74.738 flat angles C4'-P-C4' energy: -93.785 flat angles P-C4'-P energy: -60.108 tors. eta vs tors. theta energy: -132.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1380.032538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.032538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.032538 (E_RNA) where: Base-Base interactions energy: -965.126 where: short stacking energy: -423.518 Base-Backbone interact. energy: -2.030 local terms energy: -412.876890 where: bonds (distance) C4'-P energy: -74.823 bonds (distance) P-C4' energy: -70.868 flat angles C4'-P-C4' energy: -79.045 flat angles P-C4'-P energy: -60.883 tors. eta vs tors. theta energy: -127.258 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: 6 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1276.780543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.780543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.780543 (E_RNA) where: Base-Base interactions energy: -869.546 where: short stacking energy: -393.756 Base-Backbone interact. energy: -0.667 local terms energy: -406.567951 where: bonds (distance) C4'-P energy: -68.104 bonds (distance) P-C4' energy: -81.044 flat angles C4'-P-C4' energy: -86.769 flat angles P-C4'-P energy: -57.002 tors. eta vs tors. theta energy: -113.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1228.582989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.582989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.582989 (E_RNA) where: Base-Base interactions energy: -840.032 where: short stacking energy: -360.133 Base-Backbone interact. energy: -1.099 local terms energy: -387.451518 where: bonds (distance) C4'-P energy: -82.577 bonds (distance) P-C4' energy: -74.699 flat angles C4'-P-C4' energy: -80.036 flat angles P-C4'-P energy: -47.510 tors. eta vs tors. theta energy: -102.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1166.283433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.283433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.283433 (E_RNA) where: Base-Base interactions energy: -797.799 where: short stacking energy: -346.692 Base-Backbone interact. energy: -0.898 local terms energy: -367.585881 where: bonds (distance) C4'-P energy: -77.230 bonds (distance) P-C4' energy: -76.616 flat angles C4'-P-C4' energy: -65.910 flat angles P-C4'-P energy: -51.086 tors. eta vs tors. theta energy: -96.744 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: 4 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1071.945569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.945569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.945569 (E_RNA) where: Base-Base interactions energy: -691.768 where: short stacking energy: -306.024 Base-Backbone interact. energy: -2.034 local terms energy: -378.143983 where: bonds (distance) C4'-P energy: -73.946 bonds (distance) P-C4' energy: -78.195 flat angles C4'-P-C4' energy: -70.583 flat angles P-C4'-P energy: -60.770 tors. eta vs tors. theta energy: -94.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -964.900099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.900099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.900099 (E_RNA) where: Base-Base interactions energy: -645.379 where: short stacking energy: -270.891 Base-Backbone interact. energy: 1.638 local terms energy: -321.159876 where: bonds (distance) C4'-P energy: -62.907 bonds (distance) P-C4' energy: -64.178 flat angles C4'-P-C4' energy: -77.460 flat angles P-C4'-P energy: -50.995 tors. eta vs tors. theta energy: -65.620 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: 7 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -702.494532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.494532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.494532 (E_RNA) where: Base-Base interactions energy: -429.484 where: short stacking energy: -202.798 Base-Backbone interact. energy: -0.601 local terms energy: -272.409161 where: bonds (distance) C4'-P energy: -68.093 bonds (distance) P-C4' energy: -62.425 flat angles C4'-P-C4' energy: -73.137 flat angles P-C4'-P energy: -42.643 tors. eta vs tors. theta energy: -26.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -632.779985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.779985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.779985 (E_RNA) where: Base-Base interactions energy: -395.087 where: short stacking energy: -210.855 Base-Backbone interact. energy: -2.601 local terms energy: -235.091273 where: bonds (distance) C4'-P energy: -54.797 bonds (distance) P-C4' energy: -43.516 flat angles C4'-P-C4' energy: -61.628 flat angles P-C4'-P energy: -40.389 tors. eta vs tors. theta energy: -34.761 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: 421 Temperature: 1.350000 Total energy: -454.738350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.738350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.738350 (E_RNA) where: Base-Base interactions energy: -221.411 where: short stacking energy: -124.883 Base-Backbone interact. energy: -1.388 local terms energy: -231.939329 where: bonds (distance) C4'-P energy: -59.657 bonds (distance) P-C4' energy: -73.109 flat angles C4'-P-C4' energy: -69.553 flat angles P-C4'-P energy: -33.380 tors. eta vs tors. theta energy: 3.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1429.547414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.547414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.547414 (E_RNA) where: Base-Base interactions energy: -996.650 where: short stacking energy: -449.197 Base-Backbone interact. energy: -0.132 local terms energy: -432.765655 where: bonds (distance) C4'-P energy: -66.552 bonds (distance) P-C4' energy: -84.403 flat angles C4'-P-C4' energy: -93.404 flat angles P-C4'-P energy: -60.297 tors. eta vs tors. theta energy: -128.110 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: 9 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1380.793621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.793621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.793621 (E_RNA) where: Base-Base interactions energy: -954.746 where: short stacking energy: -404.175 Base-Backbone interact. energy: -4.095 local terms energy: -421.952348 where: bonds (distance) C4'-P energy: -82.960 bonds (distance) P-C4' energy: -74.611 flat angles C4'-P-C4' energy: -85.248 flat angles P-C4'-P energy: -61.306 tors. eta vs tors. theta energy: -117.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1267.339956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.339956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.339956 (E_RNA) where: Base-Base interactions energy: -870.802 where: short stacking energy: -401.542 Base-Backbone interact. energy: -2.439 local terms energy: -394.098602 where: bonds (distance) C4'-P energy: -73.507 bonds (distance) P-C4' energy: -71.386 flat angles C4'-P-C4' energy: -76.757 flat angles P-C4'-P energy: -55.089 tors. eta vs tors. theta energy: -117.359 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: 6 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1249.044023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.044023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.044023 (E_RNA) where: Base-Base interactions energy: -853.918 where: short stacking energy: -386.223 Base-Backbone interact. energy: -0.737 local terms energy: -394.389112 where: bonds (distance) C4'-P energy: -56.250 bonds (distance) P-C4' energy: -75.047 flat angles C4'-P-C4' energy: -93.635 flat angles P-C4'-P energy: -56.995 tors. eta vs tors. theta energy: -112.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1157.621848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.621848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.621848 (E_RNA) where: Base-Base interactions energy: -812.203 where: short stacking energy: -363.151 Base-Backbone interact. energy: -0.920 local terms energy: -344.498719 where: bonds (distance) C4'-P energy: -56.295 bonds (distance) P-C4' energy: -59.279 flat angles C4'-P-C4' energy: -77.131 flat angles P-C4'-P energy: -50.268 tors. eta vs tors. theta energy: -101.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1074.546478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.546478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.546478 (E_RNA) where: Base-Base interactions energy: -707.194 where: short stacking energy: -335.639 Base-Backbone interact. energy: -1.773 local terms energy: -365.579939 where: bonds (distance) C4'-P energy: -74.670 bonds (distance) P-C4' energy: -69.677 flat angles C4'-P-C4' energy: -79.082 flat angles P-C4'-P energy: -55.709 tors. eta vs tors. theta energy: -86.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -978.601359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.601359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.601359 (E_RNA) where: Base-Base interactions energy: -651.731 where: short stacking energy: -285.633 Base-Backbone interact. energy: -1.261 local terms energy: -325.609221 where: bonds (distance) C4'-P energy: -62.603 bonds (distance) P-C4' energy: -70.056 flat angles C4'-P-C4' energy: -73.460 flat angles P-C4'-P energy: -48.081 tors. eta vs tors. theta energy: -71.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -718.884441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.884441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.884441 (E_RNA) where: Base-Base interactions energy: -428.394 where: short stacking energy: -223.873 Base-Backbone interact. energy: -0.021 local terms energy: -290.469150 where: bonds (distance) C4'-P energy: -66.775 bonds (distance) P-C4' energy: -65.585 flat angles C4'-P-C4' energy: -65.539 flat angles P-C4'-P energy: -46.154 tors. eta vs tors. theta energy: -46.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -595.311699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.311699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.311699 (E_RNA) where: Base-Base interactions energy: -352.261 where: short stacking energy: -167.425 Base-Backbone interact. energy: -2.887 local terms energy: -240.163299 where: bonds (distance) C4'-P energy: -60.610 bonds (distance) P-C4' energy: -58.196 flat angles C4'-P-C4' energy: -72.226 flat angles P-C4'-P energy: -26.093 tors. eta vs tors. theta energy: -23.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -484.056308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.056308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.056308 (E_RNA) where: Base-Base interactions energy: -255.735 where: short stacking energy: -142.113 Base-Backbone interact. energy: -0.190 local terms energy: -228.131069 where: bonds (distance) C4'-P energy: -65.509 bonds (distance) P-C4' energy: -61.134 flat angles C4'-P-C4' energy: -57.954 flat angles P-C4'-P energy: -35.236 tors. eta vs tors. theta energy: -8.298 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: 423 Temperature: 0.900000 Total energy: -1419.430283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.430283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.430283 (E_RNA) where: Base-Base interactions energy: -985.282 where: short stacking energy: -428.507 Base-Backbone interact. energy: -0.822 local terms energy: -433.326585 where: bonds (distance) C4'-P energy: -78.946 bonds (distance) P-C4' energy: -78.529 flat angles C4'-P-C4' energy: -90.922 flat angles P-C4'-P energy: -61.045 tors. eta vs tors. theta energy: -123.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1380.117598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.117598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.117598 (E_RNA) where: Base-Base interactions energy: -960.794 where: short stacking energy: -400.281 Base-Backbone interact. energy: -1.308 local terms energy: -418.015778 where: bonds (distance) C4'-P energy: -77.815 bonds (distance) P-C4' energy: -76.846 flat angles C4'-P-C4' energy: -89.003 flat angles P-C4'-P energy: -54.412 tors. eta vs tors. theta energy: -119.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1298.848433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.848433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.848433 (E_RNA) where: Base-Base interactions energy: -900.897 where: short stacking energy: -387.317 Base-Backbone interact. energy: -3.940 local terms energy: -394.012372 where: bonds (distance) C4'-P energy: -65.831 bonds (distance) P-C4' energy: -80.275 flat angles C4'-P-C4' energy: -90.934 flat angles P-C4'-P energy: -48.663 tors. eta vs tors. theta energy: -108.309 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: 6 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1244.352374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.352374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.352374 (E_RNA) where: Base-Base interactions energy: -847.510 where: short stacking energy: -379.485 Base-Backbone interact. energy: 1.240 local terms energy: -398.082102 where: bonds (distance) C4'-P energy: -67.760 bonds (distance) P-C4' energy: -85.309 flat angles C4'-P-C4' energy: -85.198 flat angles P-C4'-P energy: -51.032 tors. eta vs tors. theta energy: -108.782 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: 3 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1185.235814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.235814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.235814 (E_RNA) where: Base-Base interactions energy: -820.480 where: short stacking energy: -347.784 Base-Backbone interact. energy: -2.072 local terms energy: -362.683958 where: bonds (distance) C4'-P energy: -75.053 bonds (distance) P-C4' energy: -70.213 flat angles C4'-P-C4' energy: -74.558 flat angles P-C4'-P energy: -54.801 tors. eta vs tors. theta energy: -88.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1052.633993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.633993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.633993 (E_RNA) where: Base-Base interactions energy: -704.839 where: short stacking energy: -326.337 Base-Backbone interact. energy: -0.432 local terms energy: -347.363417 where: bonds (distance) C4'-P energy: -63.248 bonds (distance) P-C4' energy: -76.170 flat angles C4'-P-C4' energy: -76.519 flat angles P-C4'-P energy: -45.104 tors. eta vs tors. theta energy: -86.323 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: 8 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -939.104364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.104364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.104364 (E_RNA) where: Base-Base interactions energy: -647.316 where: short stacking energy: -259.116 Base-Backbone interact. energy: -0.787 local terms energy: -291.001620 where: bonds (distance) C4'-P energy: -51.912 bonds (distance) P-C4' energy: -66.921 flat angles C4'-P-C4' energy: -69.906 flat angles P-C4'-P energy: -52.734 tors. eta vs tors. theta energy: -49.528 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: 8, replica: 7 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -725.432585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.432585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.432585 (E_RNA) where: Base-Base interactions energy: -455.423 where: short stacking energy: -232.650 Base-Backbone interact. energy: -1.200 local terms energy: -268.809995 where: bonds (distance) C4'-P energy: -53.453 bonds (distance) P-C4' energy: -70.270 flat angles C4'-P-C4' energy: -71.886 flat angles P-C4'-P energy: -36.038 tors. eta vs tors. theta energy: -37.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -671.532553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.532553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.532553 (E_RNA) where: Base-Base interactions energy: -403.375 where: short stacking energy: -193.872 Base-Backbone interact. energy: 0.160 local terms energy: -268.318220 where: bonds (distance) C4'-P energy: -52.620 bonds (distance) P-C4' energy: -57.299 flat angles C4'-P-C4' energy: -67.621 flat angles P-C4'-P energy: -39.168 tors. eta vs tors. theta energy: -51.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -462.541282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.541282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.541282 (E_RNA) where: Base-Base interactions energy: -250.237 where: short stacking energy: -154.596 Base-Backbone interact. energy: -0.476 local terms energy: -211.828696 where: bonds (distance) C4'-P energy: -53.238 bonds (distance) P-C4' energy: -57.175 flat angles C4'-P-C4' energy: -58.068 flat angles P-C4'-P energy: -40.120 tors. eta vs tors. theta energy: -3.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1429.392857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.392857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.392857 (E_RNA) where: Base-Base interactions energy: -991.823 where: short stacking energy: -435.920 Base-Backbone interact. energy: -0.840 local terms energy: -436.729753 where: bonds (distance) C4'-P energy: -80.016 bonds (distance) P-C4' energy: -76.735 flat angles C4'-P-C4' energy: -85.192 flat angles P-C4'-P energy: -63.201 tors. eta vs tors. theta energy: -131.585 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: 9 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1381.834379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.834379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.834379 (E_RNA) where: Base-Base interactions energy: -965.457 where: short stacking energy: -432.809 Base-Backbone interact. energy: -3.685 local terms energy: -412.692206 where: bonds (distance) C4'-P energy: -73.566 bonds (distance) P-C4' energy: -71.932 flat angles C4'-P-C4' energy: -89.283 flat angles P-C4'-P energy: -55.073 tors. eta vs tors. theta energy: -122.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1301.513967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.513967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.513967 (E_RNA) where: Base-Base interactions energy: -892.150 where: short stacking energy: -380.908 Base-Backbone interact. energy: -2.889 local terms energy: -406.475557 where: bonds (distance) C4'-P energy: -87.106 bonds (distance) P-C4' energy: -70.720 flat angles C4'-P-C4' energy: -83.564 flat angles P-C4'-P energy: -52.112 tors. eta vs tors. theta energy: -112.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1236.753509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.753509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.753509 (E_RNA) where: Base-Base interactions energy: -843.194 where: short stacking energy: -373.120 Base-Backbone interact. energy: -1.249 local terms energy: -392.310724 where: bonds (distance) C4'-P energy: -68.138 bonds (distance) P-C4' energy: -82.436 flat angles C4'-P-C4' energy: -76.389 flat angles P-C4'-P energy: -45.924 tors. eta vs tors. theta energy: -119.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1163.437945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.437945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.437945 (E_RNA) where: Base-Base interactions energy: -786.434 where: short stacking energy: -334.549 Base-Backbone interact. energy: -0.185 local terms energy: -376.819796 where: bonds (distance) C4'-P energy: -79.282 bonds (distance) P-C4' energy: -56.202 flat angles C4'-P-C4' energy: -80.582 flat angles P-C4'-P energy: -62.887 tors. eta vs tors. theta energy: -97.866 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: 4 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1037.975005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.975005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.975005 (E_RNA) where: Base-Base interactions energy: -693.220 where: short stacking energy: -312.367 Base-Backbone interact. energy: 2.541 local terms energy: -347.296566 where: bonds (distance) C4'-P energy: -72.810 bonds (distance) P-C4' energy: -73.875 flat angles C4'-P-C4' energy: -77.816 flat angles P-C4'-P energy: -47.325 tors. eta vs tors. theta energy: -75.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1010.909323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.909323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.909323 (E_RNA) where: Base-Base interactions energy: -690.167 where: short stacking energy: -299.353 Base-Backbone interact. energy: -0.352 local terms energy: -320.391112 where: bonds (distance) C4'-P energy: -62.241 bonds (distance) P-C4' energy: -72.519 flat angles C4'-P-C4' energy: -65.928 flat angles P-C4'-P energy: -47.140 tors. eta vs tors. theta energy: -72.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -744.364314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.364314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.364314 (E_RNA) where: Base-Base interactions energy: -455.019 where: short stacking energy: -227.946 Base-Backbone interact. energy: -0.955 local terms energy: -288.389990 where: bonds (distance) C4'-P energy: -73.232 bonds (distance) P-C4' energy: -67.440 flat angles C4'-P-C4' energy: -65.260 flat angles P-C4'-P energy: -51.437 tors. eta vs tors. theta energy: -31.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -628.706831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.706831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.706831 (E_RNA) where: Base-Base interactions energy: -371.768 where: short stacking energy: -181.042 Base-Backbone interact. energy: 12.870 local terms energy: -269.808433 where: bonds (distance) C4'-P energy: -65.801 bonds (distance) P-C4' energy: -75.121 flat angles C4'-P-C4' energy: -62.547 flat angles P-C4'-P energy: -43.502 tors. eta vs tors. theta energy: -22.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -506.889562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.889562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.889562 (E_RNA) where: Base-Base interactions energy: -267.647 where: short stacking energy: -161.343 Base-Backbone interact. energy: -2.315 local terms energy: -236.927109 where: bonds (distance) C4'-P energy: -56.950 bonds (distance) P-C4' energy: -61.316 flat angles C4'-P-C4' energy: -67.885 flat angles P-C4'-P energy: -30.447 tors. eta vs tors. theta energy: -20.329 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: 1, replica: 10 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1410.601177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.601177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.601177 (E_RNA) where: Base-Base interactions energy: -982.954 where: short stacking energy: -430.621 Base-Backbone interact. energy: -1.357 local terms energy: -426.290118 where: bonds (distance) C4'-P energy: -76.644 bonds (distance) P-C4' energy: -81.816 flat angles C4'-P-C4' energy: -83.953 flat angles P-C4'-P energy: -60.953 tors. eta vs tors. theta energy: -122.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1363.692928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.692928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.692928 (E_RNA) where: Base-Base interactions energy: -944.390 where: short stacking energy: -388.377 Base-Backbone interact. energy: -0.443 local terms energy: -418.860106 where: bonds (distance) C4'-P energy: -79.915 bonds (distance) P-C4' energy: -72.330 flat angles C4'-P-C4' energy: -83.828 flat angles P-C4'-P energy: -66.085 tors. eta vs tors. theta energy: -116.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1315.940742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.940742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.940742 (E_RNA) where: Base-Base interactions energy: -874.873 where: short stacking energy: -389.457 Base-Backbone interact. energy: -0.099 local terms energy: -440.968427 where: bonds (distance) C4'-P energy: -84.132 bonds (distance) P-C4' energy: -82.563 flat angles C4'-P-C4' energy: -90.928 flat angles P-C4'-P energy: -62.088 tors. eta vs tors. theta energy: -121.257 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: 6 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1216.961519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.961519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.961519 (E_RNA) where: Base-Base interactions energy: -817.816 where: short stacking energy: -363.404 Base-Backbone interact. energy: -1.493 local terms energy: -397.653095 where: bonds (distance) C4'-P energy: -68.928 bonds (distance) P-C4' energy: -77.533 flat angles C4'-P-C4' energy: -82.622 flat angles P-C4'-P energy: -58.457 tors. eta vs tors. theta energy: -110.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1204.510535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.510535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.510535 (E_RNA) where: Base-Base interactions energy: -817.293 where: short stacking energy: -342.012 Base-Backbone interact. energy: -2.988 local terms energy: -384.229583 where: bonds (distance) C4'-P energy: -65.355 bonds (distance) P-C4' energy: -69.786 flat angles C4'-P-C4' energy: -85.106 flat angles P-C4'-P energy: -57.732 tors. eta vs tors. theta energy: -106.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1047.585829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.585829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.585829 (E_RNA) where: Base-Base interactions energy: -707.676 where: short stacking energy: -285.571 Base-Backbone interact. energy: -1.422 local terms energy: -338.488138 where: bonds (distance) C4'-P energy: -73.922 bonds (distance) P-C4' energy: -73.295 flat angles C4'-P-C4' energy: -72.391 flat angles P-C4'-P energy: -41.643 tors. eta vs tors. theta energy: -77.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1052.207028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.207028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.207028 (E_RNA) where: Base-Base interactions energy: -703.635 where: short stacking energy: -322.677 Base-Backbone interact. energy: -1.271 local terms energy: -347.301283 where: bonds (distance) C4'-P energy: -66.297 bonds (distance) P-C4' energy: -63.130 flat angles C4'-P-C4' energy: -81.588 flat angles P-C4'-P energy: -46.794 tors. eta vs tors. theta energy: -89.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -753.423283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.423283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.423283 (E_RNA) where: Base-Base interactions energy: -488.904 where: short stacking energy: -227.691 Base-Backbone interact. energy: -1.500 local terms energy: -263.019032 where: bonds (distance) C4'-P energy: -68.505 bonds (distance) P-C4' energy: -53.725 flat angles C4'-P-C4' energy: -63.293 flat angles P-C4'-P energy: -47.639 tors. eta vs tors. theta energy: -29.858 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: 2 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -628.268007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.268007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.268007 (E_RNA) where: Base-Base interactions energy: -362.645 where: short stacking energy: -187.860 Base-Backbone interact. energy: 0.088 local terms energy: -265.710634 where: bonds (distance) C4'-P energy: -59.834 bonds (distance) P-C4' energy: -71.922 flat angles C4'-P-C4' energy: -73.328 flat angles P-C4'-P energy: -37.357 tors. eta vs tors. theta energy: -23.270 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: 425 Temperature: 1.350000 Total energy: -475.453436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.453436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.453436 (E_RNA) where: Base-Base interactions energy: -234.147 where: short stacking energy: -131.612 Base-Backbone interact. energy: -2.054 local terms energy: -239.252535 where: bonds (distance) C4'-P energy: -75.001 bonds (distance) P-C4' energy: -51.872 flat angles C4'-P-C4' energy: -53.941 flat angles P-C4'-P energy: -39.890 tors. eta vs tors. theta energy: -18.549 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: 10 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1405.872180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.872180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.872180 (E_RNA) where: Base-Base interactions energy: -970.943 where: short stacking energy: -448.800 Base-Backbone interact. energy: -1.116 local terms energy: -433.813675 where: bonds (distance) C4'-P energy: -84.561 bonds (distance) P-C4' energy: -74.392 flat angles C4'-P-C4' energy: -91.744 flat angles P-C4'-P energy: -58.705 tors. eta vs tors. theta energy: -124.411 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: 9 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1378.484907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.484907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.484907 (E_RNA) where: Base-Base interactions energy: -955.729 where: short stacking energy: -405.934 Base-Backbone interact. energy: -0.786 local terms energy: -421.969985 where: bonds (distance) C4'-P energy: -77.837 bonds (distance) P-C4' energy: -75.668 flat angles C4'-P-C4' energy: -87.905 flat angles P-C4'-P energy: -57.836 tors. eta vs tors. theta energy: -122.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1308.087536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.087536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.087536 (E_RNA) where: Base-Base interactions energy: -891.800 where: short stacking energy: -395.522 Base-Backbone interact. energy: 0.370 local terms energy: -416.656583 where: bonds (distance) C4'-P energy: -72.611 bonds (distance) P-C4' energy: -70.165 flat angles C4'-P-C4' energy: -91.012 flat angles P-C4'-P energy: -66.560 tors. eta vs tors. theta energy: -116.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1222.879396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.879396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.879396 (E_RNA) where: Base-Base interactions energy: -825.243 where: short stacking energy: -383.789 Base-Backbone interact. energy: -1.725 local terms energy: -395.911418 where: bonds (distance) C4'-P energy: -78.706 bonds (distance) P-C4' energy: -70.635 flat angles C4'-P-C4' energy: -84.543 flat angles P-C4'-P energy: -42.588 tors. eta vs tors. theta energy: -119.440 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: 3 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1190.540509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.540509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.540509 (E_RNA) where: Base-Base interactions energy: -821.758 where: short stacking energy: -347.676 Base-Backbone interact. energy: -2.823 local terms energy: -365.958802 where: bonds (distance) C4'-P energy: -64.459 bonds (distance) P-C4' energy: -66.194 flat angles C4'-P-C4' energy: -84.700 flat angles P-C4'-P energy: -49.806 tors. eta vs tors. theta energy: -100.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1020.617347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.617347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.617347 (E_RNA) where: Base-Base interactions energy: -673.827 where: short stacking energy: -272.692 Base-Backbone interact. energy: -1.022 local terms energy: -345.768083 where: bonds (distance) C4'-P energy: -58.798 bonds (distance) P-C4' energy: -77.855 flat angles C4'-P-C4' energy: -69.047 flat angles P-C4'-P energy: -62.138 tors. eta vs tors. theta energy: -77.930 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: 7, replica: 4 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1059.127938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.127938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.127938 (E_RNA) where: Base-Base interactions energy: -687.802 where: short stacking energy: -320.772 Base-Backbone interact. energy: -2.005 local terms energy: -369.320709 where: bonds (distance) C4'-P energy: -64.677 bonds (distance) P-C4' energy: -76.294 flat angles C4'-P-C4' energy: -77.933 flat angles P-C4'-P energy: -54.572 tors. eta vs tors. theta energy: -95.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -808.883946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.883946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.883946 (E_RNA) where: Base-Base interactions energy: -537.333 where: short stacking energy: -250.847 Base-Backbone interact. energy: 0.256 local terms energy: -271.807107 where: bonds (distance) C4'-P energy: -59.869 bonds (distance) P-C4' energy: -77.887 flat angles C4'-P-C4' energy: -60.131 flat angles P-C4'-P energy: -28.896 tors. eta vs tors. theta energy: -45.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -477.092329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.092329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.092329 (E_RNA) where: Base-Base interactions energy: -248.098 where: short stacking energy: -136.462 Base-Backbone interact. energy: -1.111 local terms energy: -227.883513 where: bonds (distance) C4'-P energy: -56.664 bonds (distance) P-C4' energy: -73.166 flat angles C4'-P-C4' energy: -64.686 flat angles P-C4'-P energy: -35.536 tors. eta vs tors. theta energy: 2.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -509.137877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.137877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.137877 (E_RNA) where: Base-Base interactions energy: -300.582 where: short stacking energy: -166.043 Base-Backbone interact. energy: 2.733 local terms energy: -211.289668 where: bonds (distance) C4'-P energy: -54.567 bonds (distance) P-C4' energy: -55.342 flat angles C4'-P-C4' energy: -52.451 flat angles P-C4'-P energy: -43.129 tors. eta vs tors. theta energy: -5.801 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: 1, replica: 10 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1417.620642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.620642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.620642 (E_RNA) where: Base-Base interactions energy: -994.956 where: short stacking energy: -421.961 Base-Backbone interact. energy: -0.350 local terms energy: -422.315260 where: bonds (distance) C4'-P energy: -81.512 bonds (distance) P-C4' energy: -77.483 flat angles C4'-P-C4' energy: -90.009 flat angles P-C4'-P energy: -54.553 tors. eta vs tors. theta energy: -118.758 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: 9 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1386.665261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.665261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.665261 (E_RNA) where: Base-Base interactions energy: -970.320 where: short stacking energy: -417.175 Base-Backbone interact. energy: -1.723 local terms energy: -414.622261 where: bonds (distance) C4'-P energy: -72.006 bonds (distance) P-C4' energy: -77.062 flat angles C4'-P-C4' energy: -83.128 flat angles P-C4'-P energy: -54.130 tors. eta vs tors. theta energy: -128.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1335.951106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.951106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.951106 (E_RNA) where: Base-Base interactions energy: -928.751 where: short stacking energy: -416.014 Base-Backbone interact. energy: -1.046 local terms energy: -406.153484 where: bonds (distance) C4'-P energy: -72.038 bonds (distance) P-C4' energy: -72.025 flat angles C4'-P-C4' energy: -82.516 flat angles P-C4'-P energy: -53.762 tors. eta vs tors. theta energy: -125.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1229.385702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.385702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.385702 (E_RNA) where: Base-Base interactions energy: -810.440 where: short stacking energy: -374.130 Base-Backbone interact. energy: -1.608 local terms energy: -417.337215 where: bonds (distance) C4'-P energy: -75.678 bonds (distance) P-C4' energy: -86.540 flat angles C4'-P-C4' energy: -72.775 flat angles P-C4'-P energy: -62.865 tors. eta vs tors. theta energy: -119.479 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: 3 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1196.062187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.062187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.062187 (E_RNA) where: Base-Base interactions energy: -834.085 where: short stacking energy: -358.611 Base-Backbone interact. energy: 1.844 local terms energy: -363.821038 where: bonds (distance) C4'-P energy: -78.331 bonds (distance) P-C4' energy: -76.059 flat angles C4'-P-C4' energy: -71.522 flat angles P-C4'-P energy: -45.859 tors. eta vs tors. theta energy: -92.050 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: 4 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1081.683852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.683852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.683852 (E_RNA) where: Base-Base interactions energy: -709.962 where: short stacking energy: -329.623 Base-Backbone interact. energy: -0.387 local terms energy: -371.335128 where: bonds (distance) C4'-P energy: -65.784 bonds (distance) P-C4' energy: -76.756 flat angles C4'-P-C4' energy: -81.478 flat angles P-C4'-P energy: -50.555 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: 7, replica: 8 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1020.422895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.422895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.422895 (E_RNA) where: Base-Base interactions energy: -684.013 where: short stacking energy: -297.439 Base-Backbone interact. energy: -3.015 local terms energy: -333.394345 where: bonds (distance) C4'-P energy: -61.095 bonds (distance) P-C4' energy: -68.110 flat angles C4'-P-C4' energy: -86.014 flat angles P-C4'-P energy: -40.615 tors. eta vs tors. theta energy: -77.561 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: 7 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -759.381057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.381057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.381057 (E_RNA) where: Base-Base interactions energy: -479.366 where: short stacking energy: -225.471 Base-Backbone interact. energy: -3.797 local terms energy: -276.218246 where: bonds (distance) C4'-P energy: -67.101 bonds (distance) P-C4' energy: -63.806 flat angles C4'-P-C4' energy: -65.899 flat angles P-C4'-P energy: -42.878 tors. eta vs tors. theta energy: -36.535 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: 427 Temperature: 1.300000 Total energy: -515.844757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.844757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.844757 (E_RNA) where: Base-Base interactions energy: -259.449 where: short stacking energy: -170.674 Base-Backbone interact. energy: 0.346 local terms energy: -256.742062 where: bonds (distance) C4'-P energy: -64.584 bonds (distance) P-C4' energy: -81.704 flat angles C4'-P-C4' energy: -64.196 flat angles P-C4'-P energy: -35.735 tors. eta vs tors. theta energy: -10.524 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: 2 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -552.439021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.439021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.439021 (E_RNA) where: Base-Base interactions energy: -328.577 where: short stacking energy: -163.306 Base-Backbone interact. energy: -1.234 local terms energy: -222.628006 where: bonds (distance) C4'-P energy: -57.629 bonds (distance) P-C4' energy: -65.000 flat angles C4'-P-C4' energy: -52.767 flat angles P-C4'-P energy: -42.680 tors. eta vs tors. theta energy: -4.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1450.812937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.812937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.812937 (E_RNA) where: Base-Base interactions energy: -1004.823 where: short stacking energy: -442.129 Base-Backbone interact. energy: 4.285 local terms energy: -450.275328 where: bonds (distance) C4'-P energy: -83.790 bonds (distance) P-C4' energy: -85.064 flat angles C4'-P-C4' energy: -92.001 flat angles P-C4'-P energy: -64.643 tors. eta vs tors. theta energy: -124.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1406.486662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.486662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.486662 (E_RNA) where: Base-Base interactions energy: -974.687 where: short stacking energy: -438.827 Base-Backbone interact. energy: -0.548 local terms energy: -431.251690 where: bonds (distance) C4'-P energy: -80.860 bonds (distance) P-C4' energy: -80.831 flat angles C4'-P-C4' energy: -79.008 flat angles P-C4'-P energy: -55.571 tors. eta vs tors. theta energy: -134.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1292.601216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.601216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.601216 (E_RNA) where: Base-Base interactions energy: -888.407 where: short stacking energy: -388.511 Base-Backbone interact. energy: -1.901 local terms energy: -402.293112 where: bonds (distance) C4'-P energy: -70.341 bonds (distance) P-C4' energy: -81.194 flat angles C4'-P-C4' energy: -78.225 flat angles P-C4'-P energy: -53.967 tors. eta vs tors. theta energy: -118.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1200.559945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.559945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.559945 (E_RNA) where: Base-Base interactions energy: -827.293 where: short stacking energy: -360.903 Base-Backbone interact. energy: -0.665 local terms energy: -372.601396 where: bonds (distance) C4'-P energy: -69.377 bonds (distance) P-C4' energy: -75.666 flat angles C4'-P-C4' energy: -73.027 flat angles P-C4'-P energy: -56.828 tors. eta vs tors. theta energy: -97.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1182.019717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.019717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.019717 (E_RNA) where: Base-Base interactions energy: -817.783 where: short stacking energy: -345.264 Base-Backbone interact. energy: -1.455 local terms energy: -362.781206 where: bonds (distance) C4'-P energy: -69.430 bonds (distance) P-C4' energy: -75.645 flat angles C4'-P-C4' energy: -80.191 flat angles P-C4'-P energy: -42.630 tors. eta vs tors. theta energy: -94.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1055.257636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.257636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.257636 (E_RNA) where: Base-Base interactions energy: -707.520 where: short stacking energy: -316.493 Base-Backbone interact. energy: 0.709 local terms energy: -348.446059 where: bonds (distance) C4'-P energy: -60.631 bonds (distance) P-C4' energy: -68.573 flat angles C4'-P-C4' energy: -82.318 flat angles P-C4'-P energy: -60.596 tors. eta vs tors. theta energy: -76.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -985.916632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.916632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.916632 (E_RNA) where: Base-Base interactions energy: -670.636 where: short stacking energy: -297.206 Base-Backbone interact. energy: 3.634 local terms energy: -318.914289 where: bonds (distance) C4'-P energy: -62.126 bonds (distance) P-C4' energy: -65.685 flat angles C4'-P-C4' energy: -72.374 flat angles P-C4'-P energy: -48.390 tors. eta vs tors. theta energy: -70.340 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: 7 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -757.464055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.464055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.464055 (E_RNA) where: Base-Base interactions energy: -486.045 where: short stacking energy: -223.487 Base-Backbone interact. energy: -0.295 local terms energy: -271.123879 where: bonds (distance) C4'-P energy: -52.789 bonds (distance) P-C4' energy: -67.082 flat angles C4'-P-C4' energy: -73.648 flat angles P-C4'-P energy: -37.094 tors. eta vs tors. theta energy: -40.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -626.683131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.683131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.683131 (E_RNA) where: Base-Base interactions energy: -376.688 where: short stacking energy: -204.396 Base-Backbone interact. energy: 0.814 local terms energy: -250.809535 where: bonds (distance) C4'-P energy: -50.335 bonds (distance) P-C4' energy: -73.610 flat angles C4'-P-C4' energy: -63.241 flat angles P-C4'-P energy: -31.690 tors. eta vs tors. theta energy: -31.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -500.592026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.592026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.592026 (E_RNA) where: Base-Base interactions energy: -246.554 where: short stacking energy: -130.773 Base-Backbone interact. energy: -2.155 local terms energy: -251.882570 where: bonds (distance) C4'-P energy: -55.142 bonds (distance) P-C4' energy: -69.418 flat angles C4'-P-C4' energy: -78.309 flat angles P-C4'-P energy: -34.748 tors. eta vs tors. theta energy: -14.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1441.138882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.138882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.138882 (E_RNA) where: Base-Base interactions energy: -996.556 where: short stacking energy: -443.094 Base-Backbone interact. energy: 0.269 local terms energy: -444.852291 where: bonds (distance) C4'-P energy: -84.890 bonds (distance) P-C4' energy: -77.406 flat angles C4'-P-C4' energy: -93.684 flat angles P-C4'-P energy: -63.818 tors. eta vs tors. theta energy: -125.054 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: 429 Temperature: 0.950000 Total energy: -1404.751139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.751139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.751139 (E_RNA) where: Base-Base interactions energy: -959.858 where: short stacking energy: -425.437 Base-Backbone interact. energy: -0.305 local terms energy: -444.588246 where: bonds (distance) C4'-P energy: -70.386 bonds (distance) P-C4' energy: -92.826 flat angles C4'-P-C4' energy: -88.752 flat angles P-C4'-P energy: -57.917 tors. eta vs tors. theta energy: -134.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1320.378147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.378147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.378147 (E_RNA) where: Base-Base interactions energy: -902.641 where: short stacking energy: -392.277 Base-Backbone interact. energy: -1.993 local terms energy: -415.744767 where: bonds (distance) C4'-P energy: -76.898 bonds (distance) P-C4' energy: -77.677 flat angles C4'-P-C4' energy: -82.808 flat angles P-C4'-P energy: -60.325 tors. eta vs tors. theta energy: -118.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1207.722438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.722438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.722438 (E_RNA) where: Base-Base interactions energy: -835.551 where: short stacking energy: -365.122 Base-Backbone interact. energy: -2.402 local terms energy: -369.769106 where: bonds (distance) C4'-P energy: -65.961 bonds (distance) P-C4' energy: -62.782 flat angles C4'-P-C4' energy: -82.607 flat angles P-C4'-P energy: -58.327 tors. eta vs tors. theta energy: -100.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1184.477487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.477487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.477487 (E_RNA) where: Base-Base interactions energy: -825.270 where: short stacking energy: -357.607 Base-Backbone interact. energy: -1.442 local terms energy: -357.765004 where: bonds (distance) C4'-P energy: -57.086 bonds (distance) P-C4' energy: -61.674 flat angles C4'-P-C4' energy: -78.839 flat angles P-C4'-P energy: -59.946 tors. eta vs tors. theta energy: -100.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1031.725100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.725100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.725100 (E_RNA) where: Base-Base interactions energy: -693.954 where: short stacking energy: -294.789 Base-Backbone interact. energy: -2.324 local terms energy: -335.446951 where: bonds (distance) C4'-P energy: -72.862 bonds (distance) P-C4' energy: -69.133 flat angles C4'-P-C4' energy: -83.245 flat angles P-C4'-P energy: -41.641 tors. eta vs tors. theta energy: -68.565 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: 4 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1016.088825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.088825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.088825 (E_RNA) where: Base-Base interactions energy: -678.347 where: short stacking energy: -308.974 Base-Backbone interact. energy: -1.312 local terms energy: -336.430028 where: bonds (distance) C4'-P energy: -73.495 bonds (distance) P-C4' energy: -58.175 flat angles C4'-P-C4' energy: -77.118 flat angles P-C4'-P energy: -51.810 tors. eta vs tors. theta energy: -75.832 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: 7 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -769.813920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.813920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.813920 (E_RNA) where: Base-Base interactions energy: -492.694 where: short stacking energy: -213.520 Base-Backbone interact. energy: -0.236 local terms energy: -276.883589 where: bonds (distance) C4'-P energy: -67.377 bonds (distance) P-C4' energy: -69.523 flat angles C4'-P-C4' energy: -71.997 flat angles P-C4'-P energy: -31.310 tors. eta vs tors. theta energy: -36.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -574.310071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.310071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.310071 (E_RNA) where: Base-Base interactions energy: -322.289 where: short stacking energy: -174.448 Base-Backbone interact. energy: -0.247 local terms energy: -251.774291 where: bonds (distance) C4'-P energy: -62.122 bonds (distance) P-C4' energy: -54.101 flat angles C4'-P-C4' energy: -63.980 flat angles P-C4'-P energy: -43.785 tors. eta vs tors. theta energy: -27.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -475.006272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.006272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.006272 (E_RNA) where: Base-Base interactions energy: -267.560 where: short stacking energy: -147.976 Base-Backbone interact. energy: 0.538 local terms energy: -207.984131 where: bonds (distance) C4'-P energy: -62.746 bonds (distance) P-C4' energy: -61.798 flat angles C4'-P-C4' energy: -47.596 flat angles P-C4'-P energy: -26.490 tors. eta vs tors. theta energy: -9.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1413.316725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.316725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.316725 (E_RNA) where: Base-Base interactions energy: -986.293 where: short stacking energy: -428.495 Base-Backbone interact. energy: -1.036 local terms energy: -425.987526 where: bonds (distance) C4'-P energy: -72.007 bonds (distance) P-C4' energy: -75.690 flat angles C4'-P-C4' energy: -90.286 flat angles P-C4'-P energy: -64.830 tors. eta vs tors. theta energy: -123.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1396.562471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.562471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.562471 (E_RNA) where: Base-Base interactions energy: -977.122 where: short stacking energy: -430.989 Base-Backbone interact. energy: 0.978 local terms energy: -420.418474 where: bonds (distance) C4'-P energy: -69.480 bonds (distance) P-C4' energy: -66.448 flat angles C4'-P-C4' energy: -96.196 flat angles P-C4'-P energy: -58.994 tors. eta vs tors. theta energy: -129.300 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: 5 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1308.262368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.262368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.262368 (E_RNA) where: Base-Base interactions energy: -896.426 where: short stacking energy: -374.878 Base-Backbone interact. energy: -1.432 local terms energy: -410.403607 where: bonds (distance) C4'-P energy: -74.810 bonds (distance) P-C4' energy: -73.235 flat angles C4'-P-C4' energy: -80.587 flat angles P-C4'-P energy: -63.798 tors. eta vs tors. theta energy: -117.973 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: 3 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1228.485042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.485042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.485042 (E_RNA) where: Base-Base interactions energy: -843.142 where: short stacking energy: -364.280 Base-Backbone interact. energy: 0.207 local terms energy: -385.549922 where: bonds (distance) C4'-P energy: -78.206 bonds (distance) P-C4' energy: -71.170 flat angles C4'-P-C4' energy: -87.067 flat angles P-C4'-P energy: -47.785 tors. eta vs tors. theta energy: -101.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1161.642251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.642251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.642251 (E_RNA) where: Base-Base interactions energy: -783.160 where: short stacking energy: -335.942 Base-Backbone interact. energy: -1.255 local terms energy: -377.227263 where: bonds (distance) C4'-P energy: -82.186 bonds (distance) P-C4' energy: -70.614 flat angles C4'-P-C4' energy: -84.891 flat angles P-C4'-P energy: -42.278 tors. eta vs tors. theta energy: -97.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1004.232134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.232134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.232134 (E_RNA) where: Base-Base interactions energy: -671.462 where: short stacking energy: -259.272 Base-Backbone interact. energy: -2.146 local terms energy: -330.624266 where: bonds (distance) C4'-P energy: -73.048 bonds (distance) P-C4' energy: -72.079 flat angles C4'-P-C4' energy: -75.972 flat angles P-C4'-P energy: -43.191 tors. eta vs tors. theta energy: -66.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1014.263576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.263576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.263576 (E_RNA) where: Base-Base interactions energy: -684.251 where: short stacking energy: -306.907 Base-Backbone interact. energy: 0.819 local terms energy: -330.831715 where: bonds (distance) C4'-P energy: -66.632 bonds (distance) P-C4' energy: -68.739 flat angles C4'-P-C4' energy: -65.701 flat angles P-C4'-P energy: -48.109 tors. eta vs tors. theta energy: -81.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -757.621852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.621852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.621852 (E_RNA) where: Base-Base interactions energy: -507.653 where: short stacking energy: -217.016 Base-Backbone interact. energy: -1.740 local terms energy: -248.229565 where: bonds (distance) C4'-P energy: -60.337 bonds (distance) P-C4' energy: -55.167 flat angles C4'-P-C4' energy: -53.136 flat angles P-C4'-P energy: -35.751 tors. eta vs tors. theta energy: -43.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -559.604719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.604719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.604719 (E_RNA) where: Base-Base interactions energy: -291.482 where: short stacking energy: -154.104 Base-Backbone interact. energy: 2.054 local terms energy: -270.176516 where: bonds (distance) C4'-P energy: -73.224 bonds (distance) P-C4' energy: -78.248 flat angles C4'-P-C4' energy: -60.387 flat angles P-C4'-P energy: -38.860 tors. eta vs tors. theta energy: -19.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -468.714549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.714549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.714549 (E_RNA) where: Base-Base interactions energy: -233.557 where: short stacking energy: -134.916 Base-Backbone interact. energy: -1.753 local terms energy: -233.404173 where: bonds (distance) C4'-P energy: -65.537 bonds (distance) P-C4' energy: -75.616 flat angles C4'-P-C4' energy: -55.565 flat angles P-C4'-P energy: -40.755 tors. eta vs tors. theta energy: 4.069 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: 431 Temperature: 0.900000 Total energy: -1406.435221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.435221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.435221 (E_RNA) where: Base-Base interactions energy: -976.884 where: short stacking energy: -429.363 Base-Backbone interact. energy: 1.749 local terms energy: -431.300464 where: bonds (distance) C4'-P energy: -76.027 bonds (distance) P-C4' energy: -75.256 flat angles C4'-P-C4' energy: -95.794 flat angles P-C4'-P energy: -58.010 tors. eta vs tors. theta energy: -126.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1379.634684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.634684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.634684 (E_RNA) where: Base-Base interactions energy: -936.703 where: short stacking energy: -415.434 Base-Backbone interact. energy: -1.671 local terms energy: -441.260403 where: bonds (distance) C4'-P energy: -80.816 bonds (distance) P-C4' energy: -82.364 flat angles C4'-P-C4' energy: -86.757 flat angles P-C4'-P energy: -59.581 tors. eta vs tors. theta energy: -131.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1323.151389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.151389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.151389 (E_RNA) where: Base-Base interactions energy: -916.980 where: short stacking energy: -401.821 Base-Backbone interact. energy: -2.056 local terms energy: -404.116032 where: bonds (distance) C4'-P energy: -74.789 bonds (distance) P-C4' energy: -71.458 flat angles C4'-P-C4' energy: -88.157 flat angles P-C4'-P energy: -54.417 tors. eta vs tors. theta energy: -115.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1211.074649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.074649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.074649 (E_RNA) where: Base-Base interactions energy: -824.691 where: short stacking energy: -346.113 Base-Backbone interact. energy: -1.129 local terms energy: -385.255634 where: bonds (distance) C4'-P energy: -74.558 bonds (distance) P-C4' energy: -80.961 flat angles C4'-P-C4' energy: -80.621 flat angles P-C4'-P energy: -55.926 tors. eta vs tors. theta energy: -93.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1221.874109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.874109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.874109 (E_RNA) where: Base-Base interactions energy: -836.671 where: short stacking energy: -360.415 Base-Backbone interact. energy: 5.882 local terms energy: -391.084632 where: bonds (distance) C4'-P energy: -65.262 bonds (distance) P-C4' energy: -85.319 flat angles C4'-P-C4' energy: -84.948 flat angles P-C4'-P energy: -49.118 tors. eta vs tors. theta energy: -106.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1070.536895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.536895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.536895 (E_RNA) where: Base-Base interactions energy: -718.613 where: short stacking energy: -320.468 Base-Backbone interact. energy: -2.131 local terms energy: -349.792303 where: bonds (distance) C4'-P energy: -67.166 bonds (distance) P-C4' energy: -65.262 flat angles C4'-P-C4' energy: -71.440 flat angles P-C4'-P energy: -54.889 tors. eta vs tors. theta energy: -91.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1004.369615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.369615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.369615 (E_RNA) where: Base-Base interactions energy: -699.659 where: short stacking energy: -300.401 Base-Backbone interact. energy: -2.162 local terms energy: -302.548918 where: bonds (distance) C4'-P energy: -56.468 bonds (distance) P-C4' energy: -81.234 flat angles C4'-P-C4' energy: -71.264 flat angles P-C4'-P energy: -26.398 tors. eta vs tors. theta energy: -67.185 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: 7 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -867.414158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.414158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.414158 (E_RNA) where: Base-Base interactions energy: -555.056 where: short stacking energy: -256.235 Base-Backbone interact. energy: -2.921 local terms energy: -309.437114 where: bonds (distance) C4'-P energy: -71.068 bonds (distance) P-C4' energy: -61.765 flat angles C4'-P-C4' energy: -78.920 flat angles P-C4'-P energy: -46.141 tors. eta vs tors. theta energy: -51.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -597.127809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.127809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.127809 (E_RNA) where: Base-Base interactions energy: -369.699 where: short stacking energy: -187.321 Base-Backbone interact. energy: 0.459 local terms energy: -227.887538 where: bonds (distance) C4'-P energy: -64.115 bonds (distance) P-C4' energy: -67.117 flat angles C4'-P-C4' energy: -46.913 flat angles P-C4'-P energy: -32.249 tors. eta vs tors. theta energy: -17.494 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: 10, replica: 1 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -476.055384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.055384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.055384 (E_RNA) where: Base-Base interactions energy: -249.714 where: short stacking energy: -131.718 Base-Backbone interact. energy: -0.727 local terms energy: -225.613612 where: bonds (distance) C4'-P energy: -62.232 bonds (distance) P-C4' energy: -70.811 flat angles C4'-P-C4' energy: -61.633 flat angles P-C4'-P energy: -32.500 tors. eta vs tors. theta energy: 1.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1423.325618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.325618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.325618 (E_RNA) where: Base-Base interactions energy: -989.612 where: short stacking energy: -428.824 Base-Backbone interact. energy: -0.128 local terms energy: -433.585159 where: bonds (distance) C4'-P energy: -73.838 bonds (distance) P-C4' energy: -79.719 flat angles C4'-P-C4' energy: -85.690 flat angles P-C4'-P energy: -72.334 tors. eta vs tors. theta energy: -122.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1393.621258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.621258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.621258 (E_RNA) where: Base-Base interactions energy: -958.197 where: short stacking energy: -427.708 Base-Backbone interact. energy: -2.521 local terms energy: -432.903299 where: bonds (distance) C4'-P energy: -79.556 bonds (distance) P-C4' energy: -85.084 flat angles C4'-P-C4' energy: -82.828 flat angles P-C4'-P energy: -59.588 tors. eta vs tors. theta energy: -125.848 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: 3, replica: 5 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1314.712985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.712985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.712985 (E_RNA) where: Base-Base interactions energy: -917.532 where: short stacking energy: -404.279 Base-Backbone interact. energy: -1.238 local terms energy: -395.942916 where: bonds (distance) C4'-P energy: -65.161 bonds (distance) P-C4' energy: -73.288 flat angles C4'-P-C4' energy: -88.582 flat angles P-C4'-P energy: -47.432 tors. eta vs tors. theta energy: -121.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1202.936403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.936403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.936403 (E_RNA) where: Base-Base interactions energy: -828.399 where: short stacking energy: -333.480 Base-Backbone interact. energy: -1.857 local terms energy: -372.680359 where: bonds (distance) C4'-P energy: -73.311 bonds (distance) P-C4' energy: -70.560 flat angles C4'-P-C4' energy: -83.265 flat angles P-C4'-P energy: -51.600 tors. eta vs tors. theta energy: -93.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1209.873839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.873839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.873839 (E_RNA) where: Base-Base interactions energy: -830.972 where: short stacking energy: -360.899 Base-Backbone interact. energy: -2.689 local terms energy: -376.212724 where: bonds (distance) C4'-P energy: -66.153 bonds (distance) P-C4' energy: -69.010 flat angles C4'-P-C4' energy: -84.535 flat angles P-C4'-P energy: -47.806 tors. eta vs tors. theta energy: -108.709 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: 4 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1023.930251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.930251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.930251 (E_RNA) where: Base-Base interactions energy: -682.968 where: short stacking energy: -289.418 Base-Backbone interact. energy: 1.887 local terms energy: -342.850056 where: bonds (distance) C4'-P energy: -69.234 bonds (distance) P-C4' energy: -68.312 flat angles C4'-P-C4' energy: -83.469 flat angles P-C4'-P energy: -51.449 tors. eta vs tors. theta energy: -70.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -993.007144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.007144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.007144 (E_RNA) where: Base-Base interactions energy: -694.257 where: short stacking energy: -302.249 Base-Backbone interact. energy: 0.379 local terms energy: -299.129060 where: bonds (distance) C4'-P energy: -63.566 bonds (distance) P-C4' energy: -77.566 flat angles C4'-P-C4' energy: -51.649 flat angles P-C4'-P energy: -37.468 tors. eta vs tors. theta energy: -68.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -862.245664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.245664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.245664 (E_RNA) where: Base-Base interactions energy: -562.034 where: short stacking energy: -255.842 Base-Backbone interact. energy: -2.204 local terms energy: -298.008342 where: bonds (distance) C4'-P energy: -66.995 bonds (distance) P-C4' energy: -78.446 flat angles C4'-P-C4' energy: -52.163 flat angles P-C4'-P energy: -46.089 tors. eta vs tors. theta energy: -54.316 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: 2 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -598.945541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.945541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.945541 (E_RNA) where: Base-Base interactions energy: -350.233 where: short stacking energy: -180.822 Base-Backbone interact. energy: -1.028 local terms energy: -247.685202 where: bonds (distance) C4'-P energy: -54.177 bonds (distance) P-C4' energy: -73.720 flat angles C4'-P-C4' energy: -61.402 flat angles P-C4'-P energy: -39.151 tors. eta vs tors. theta energy: -19.236 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: 432 Temperature: 1.350000 Total energy: -466.790490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.790490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.790490 (E_RNA) where: Base-Base interactions energy: -260.357 where: short stacking energy: -143.044 Base-Backbone interact. energy: 1.617 local terms energy: -208.050007 where: bonds (distance) C4'-P energy: -40.630 bonds (distance) P-C4' energy: -65.599 flat angles C4'-P-C4' energy: -65.418 flat angles P-C4'-P energy: -36.016 tors. eta vs tors. theta energy: -0.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1398.821940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.821940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.821940 (E_RNA) where: Base-Base interactions energy: -976.865 where: short stacking energy: -412.952 Base-Backbone interact. energy: -2.430 local terms energy: -419.526769 where: bonds (distance) C4'-P energy: -74.600 bonds (distance) P-C4' energy: -82.468 flat angles C4'-P-C4' energy: -86.315 flat angles P-C4'-P energy: -57.476 tors. eta vs tors. theta energy: -118.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1399.834481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.834481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.834481 (E_RNA) where: Base-Base interactions energy: -946.106 where: short stacking energy: -413.035 Base-Backbone interact. energy: 2.807 local terms energy: -456.535247 where: bonds (distance) C4'-P energy: -83.167 bonds (distance) P-C4' energy: -89.079 flat angles C4'-P-C4' energy: -94.676 flat angles P-C4'-P energy: -60.806 tors. eta vs tors. theta energy: -128.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1321.499294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.499294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.499294 (E_RNA) where: Base-Base interactions energy: -924.716 where: short stacking energy: -413.097 Base-Backbone interact. energy: -0.967 local terms energy: -395.816510 where: bonds (distance) C4'-P energy: -68.688 bonds (distance) P-C4' energy: -71.759 flat angles C4'-P-C4' energy: -79.201 flat angles P-C4'-P energy: -55.477 tors. eta vs tors. theta energy: -120.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1204.940809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.940809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.940809 (E_RNA) where: Base-Base interactions energy: -829.421 where: short stacking energy: -362.031 Base-Backbone interact. energy: -1.426 local terms energy: -374.093524 where: bonds (distance) C4'-P energy: -71.293 bonds (distance) P-C4' energy: -70.677 flat angles C4'-P-C4' energy: -86.695 flat angles P-C4'-P energy: -41.234 tors. eta vs tors. theta energy: -104.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1203.029932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.029932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.029932 (E_RNA) where: Base-Base interactions energy: -822.948 where: short stacking energy: -350.345 Base-Backbone interact. energy: -3.005 local terms energy: -377.077080 where: bonds (distance) C4'-P energy: -62.731 bonds (distance) P-C4' energy: -76.761 flat angles C4'-P-C4' energy: -82.284 flat angles P-C4'-P energy: -60.376 tors. eta vs tors. theta energy: -94.926 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: 6, replica: 4 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1044.623750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.623750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.623750 (E_RNA) where: Base-Base interactions energy: -695.912 where: short stacking energy: -294.105 Base-Backbone interact. energy: -1.958 local terms energy: -346.753665 where: bonds (distance) C4'-P energy: -68.683 bonds (distance) P-C4' energy: -67.849 flat angles C4'-P-C4' energy: -76.142 flat angles P-C4'-P energy: -58.693 tors. eta vs tors. theta energy: -75.387 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: 7, replica: 8 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -998.345704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.345704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.345704 (E_RNA) where: Base-Base interactions energy: -660.069 where: short stacking energy: -280.340 Base-Backbone interact. energy: 0.443 local terms energy: -338.719858 where: bonds (distance) C4'-P energy: -75.244 bonds (distance) P-C4' energy: -69.705 flat angles C4'-P-C4' energy: -89.520 flat angles P-C4'-P energy: -40.836 tors. eta vs tors. theta energy: -63.415 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: 7 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -877.241818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.241818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.241818 (E_RNA) where: Base-Base interactions energy: -552.942 where: short stacking energy: -275.761 Base-Backbone interact. energy: -0.221 local terms energy: -324.079018 where: bonds (distance) C4'-P energy: -61.925 bonds (distance) P-C4' energy: -82.123 flat angles C4'-P-C4' energy: -73.491 flat angles P-C4'-P energy: -35.887 tors. eta vs tors. theta energy: -70.652 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: 2 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -594.823062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.823062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.823062 (E_RNA) where: Base-Base interactions energy: -352.215 where: short stacking energy: -197.587 Base-Backbone interact. energy: 6.128 local terms energy: -248.735885 where: bonds (distance) C4'-P energy: -68.057 bonds (distance) P-C4' energy: -58.941 flat angles C4'-P-C4' energy: -60.707 flat angles P-C4'-P energy: -35.632 tors. eta vs tors. theta energy: -25.398 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: 433 Temperature: 1.350000 Total energy: -475.034553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.034553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.034553 (E_RNA) where: Base-Base interactions energy: -247.002 where: short stacking energy: -130.971 Base-Backbone interact. energy: -1.608 local terms energy: -226.424891 where: bonds (distance) C4'-P energy: -67.313 bonds (distance) P-C4' energy: -65.450 flat angles C4'-P-C4' energy: -48.479 flat angles P-C4'-P energy: -32.939 tors. eta vs tors. theta energy: -12.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1391.836631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.836631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.836631 (E_RNA) where: Base-Base interactions energy: -955.825 where: short stacking energy: -426.832 Base-Backbone interact. energy: -1.612 local terms energy: -434.399482 where: bonds (distance) C4'-P energy: -86.242 bonds (distance) P-C4' energy: -77.434 flat angles C4'-P-C4' energy: -89.392 flat angles P-C4'-P energy: -59.567 tors. eta vs tors. theta energy: -121.765 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: 10 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1391.549149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.549149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.549149 (E_RNA) where: Base-Base interactions energy: -976.652 where: short stacking energy: -404.559 Base-Backbone interact. energy: -1.897 local terms energy: -412.999631 where: bonds (distance) C4'-P energy: -72.611 bonds (distance) P-C4' energy: -78.736 flat angles C4'-P-C4' energy: -86.735 flat angles P-C4'-P energy: -57.685 tors. eta vs tors. theta energy: -117.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1334.483998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.483998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.483998 (E_RNA) where: Base-Base interactions energy: -924.258 where: short stacking energy: -392.979 Base-Backbone interact. energy: -2.933 local terms energy: -407.292791 where: bonds (distance) C4'-P energy: -64.591 bonds (distance) P-C4' energy: -86.560 flat angles C4'-P-C4' energy: -87.781 flat angles P-C4'-P energy: -54.048 tors. eta vs tors. theta energy: -114.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1216.353278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.353278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.353278 (E_RNA) where: Base-Base interactions energy: -859.551 where: short stacking energy: -349.799 Base-Backbone interact. energy: -1.064 local terms energy: -355.738426 where: bonds (distance) C4'-P energy: -68.525 bonds (distance) P-C4' energy: -67.379 flat angles C4'-P-C4' energy: -75.223 flat angles P-C4'-P energy: -53.826 tors. eta vs tors. theta energy: -90.786 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: 6 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1209.014358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.014358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.014358 (E_RNA) where: Base-Base interactions energy: -831.201 where: short stacking energy: -353.222 Base-Backbone interact. energy: -2.753 local terms energy: -375.060529 where: bonds (distance) C4'-P energy: -70.463 bonds (distance) P-C4' energy: -70.498 flat angles C4'-P-C4' energy: -84.029 flat angles P-C4'-P energy: -56.278 tors. eta vs tors. theta energy: -93.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1063.300729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.300729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.300729 (E_RNA) where: Base-Base interactions energy: -713.756 where: short stacking energy: -317.191 Base-Backbone interact. energy: -0.894 local terms energy: -348.650057 where: bonds (distance) C4'-P energy: -75.248 bonds (distance) P-C4' energy: -72.860 flat angles C4'-P-C4' energy: -73.049 flat angles P-C4'-P energy: -41.077 tors. eta vs tors. theta energy: -86.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -990.312723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.312723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.312723 (E_RNA) where: Base-Base interactions energy: -675.256 where: short stacking energy: -278.360 Base-Backbone interact. energy: -1.487 local terms energy: -313.569786 where: bonds (distance) C4'-P energy: -55.777 bonds (distance) P-C4' energy: -70.957 flat angles C4'-P-C4' energy: -75.753 flat angles P-C4'-P energy: -44.666 tors. eta vs tors. theta energy: -66.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -890.897923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.897923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.897923 (E_RNA) where: Base-Base interactions energy: -565.232 where: short stacking energy: -262.125 Base-Backbone interact. energy: -1.060 local terms energy: -324.605841 where: bonds (distance) C4'-P energy: -78.988 bonds (distance) P-C4' energy: -63.606 flat angles C4'-P-C4' energy: -73.313 flat angles P-C4'-P energy: -51.710 tors. eta vs tors. theta energy: -56.989 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: 2 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -702.369898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.369898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.369898 (E_RNA) where: Base-Base interactions energy: -395.966 where: short stacking energy: -210.224 Base-Backbone interact. energy: -0.154 local terms energy: -306.250077 where: bonds (distance) C4'-P energy: -62.181 bonds (distance) P-C4' energy: -77.188 flat angles C4'-P-C4' energy: -74.956 flat angles P-C4'-P energy: -41.129 tors. eta vs tors. theta energy: -50.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -474.722821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.722821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.722821 (E_RNA) where: Base-Base interactions energy: -253.186 where: short stacking energy: -135.391 Base-Backbone interact. energy: 0.488 local terms energy: -222.024455 where: bonds (distance) C4'-P energy: -56.311 bonds (distance) P-C4' energy: -63.067 flat angles C4'-P-C4' energy: -53.524 flat angles P-C4'-P energy: -40.176 tors. eta vs tors. theta energy: -8.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1422.926438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.926438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.926438 (E_RNA) where: Base-Base interactions energy: -994.695 where: short stacking energy: -441.405 Base-Backbone interact. energy: -1.279 local terms energy: -426.952743 where: bonds (distance) C4'-P energy: -79.992 bonds (distance) P-C4' energy: -65.444 flat angles C4'-P-C4' energy: -86.786 flat angles P-C4'-P energy: -58.210 tors. eta vs tors. theta energy: -136.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1371.358541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.358541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.358541 (E_RNA) where: Base-Base interactions energy: -955.546 where: short stacking energy: -384.391 Base-Backbone interact. energy: -2.518 local terms energy: -413.294078 where: bonds (distance) C4'-P energy: -71.325 bonds (distance) P-C4' energy: -84.632 flat angles C4'-P-C4' energy: -89.008 flat angles P-C4'-P energy: -58.772 tors. eta vs tors. theta energy: -109.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1313.728788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.728788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.728788 (E_RNA) where: Base-Base interactions energy: -910.791 where: short stacking energy: -370.853 Base-Backbone interact. energy: -3.364 local terms energy: -399.574076 where: bonds (distance) C4'-P energy: -71.806 bonds (distance) P-C4' energy: -82.592 flat angles C4'-P-C4' energy: -79.950 flat angles P-C4'-P energy: -51.937 tors. eta vs tors. theta energy: -113.290 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: 6 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1233.370285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.370285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.370285 (E_RNA) where: Base-Base interactions energy: -842.570 where: short stacking energy: -368.430 Base-Backbone interact. energy: -4.039 local terms energy: -386.761686 where: bonds (distance) C4'-P energy: -72.006 bonds (distance) P-C4' energy: -68.703 flat angles C4'-P-C4' energy: -83.661 flat angles P-C4'-P energy: -59.349 tors. eta vs tors. theta energy: -103.043 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: 3 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1179.946429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.946429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.946429 (E_RNA) where: Base-Base interactions energy: -824.214 where: short stacking energy: -345.544 Base-Backbone interact. energy: -2.348 local terms energy: -353.385177 where: bonds (distance) C4'-P energy: -65.363 bonds (distance) P-C4' energy: -70.198 flat angles C4'-P-C4' energy: -75.674 flat angles P-C4'-P energy: -47.910 tors. eta vs tors. theta energy: -94.240 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: 4 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1082.814881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.814881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.814881 (E_RNA) where: Base-Base interactions energy: -701.494 where: short stacking energy: -328.933 Base-Backbone interact. energy: 2.318 local terms energy: -383.639364 where: bonds (distance) C4'-P energy: -78.589 bonds (distance) P-C4' energy: -74.385 flat angles C4'-P-C4' energy: -75.603 flat angles P-C4'-P energy: -58.988 tors. eta vs tors. theta energy: -96.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -997.115636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.115636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.115636 (E_RNA) where: Base-Base interactions energy: -665.416 where: short stacking energy: -290.058 Base-Backbone interact. energy: 0.444 local terms energy: -332.143010 where: bonds (distance) C4'-P energy: -62.613 bonds (distance) P-C4' energy: -70.190 flat angles C4'-P-C4' energy: -60.658 flat angles P-C4'-P energy: -59.302 tors. eta vs tors. theta energy: -79.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -808.285912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.285912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.285912 (E_RNA) where: Base-Base interactions energy: -527.249 where: short stacking energy: -244.630 Base-Backbone interact. energy: -2.418 local terms energy: -278.618313 where: bonds (distance) C4'-P energy: -65.600 bonds (distance) P-C4' energy: -48.983 flat angles C4'-P-C4' energy: -68.228 flat angles P-C4'-P energy: -44.993 tors. eta vs tors. theta energy: -50.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -661.636950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.636950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.636950 (E_RNA) where: Base-Base interactions energy: -395.542 where: short stacking energy: -189.253 Base-Backbone interact. energy: -1.602 local terms energy: -264.492915 where: bonds (distance) C4'-P energy: -56.676 bonds (distance) P-C4' energy: -69.216 flat angles C4'-P-C4' energy: -66.480 flat angles P-C4'-P energy: -47.531 tors. eta vs tors. theta energy: -24.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -473.014853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.014853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.014853 (E_RNA) where: Base-Base interactions energy: -248.456 where: short stacking energy: -136.133 Base-Backbone interact. energy: -0.696 local terms energy: -223.862088 where: bonds (distance) C4'-P energy: -50.238 bonds (distance) P-C4' energy: -72.661 flat angles C4'-P-C4' energy: -58.508 flat angles P-C4'-P energy: -20.295 tors. eta vs tors. theta energy: -22.160 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: 9 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1409.913183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.913183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.913183 (E_RNA) where: Base-Base interactions energy: -961.306 where: short stacking energy: -422.129 Base-Backbone interact. energy: -2.320 local terms energy: -446.287275 where: bonds (distance) C4'-P energy: -82.745 bonds (distance) P-C4' energy: -81.486 flat angles C4'-P-C4' energy: -82.746 flat angles P-C4'-P energy: -62.876 tors. eta vs tors. theta energy: -136.433 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: 2, replica: 10 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1374.867699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.867699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.867699 (E_RNA) where: Base-Base interactions energy: -968.458 where: short stacking energy: -409.781 Base-Backbone interact. energy: -1.989 local terms energy: -404.421194 where: bonds (distance) C4'-P energy: -67.867 bonds (distance) P-C4' energy: -71.216 flat angles C4'-P-C4' energy: -88.392 flat angles P-C4'-P energy: -55.414 tors. eta vs tors. theta energy: -121.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1322.919705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.919705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.919705 (E_RNA) where: Base-Base interactions energy: -926.287 where: short stacking energy: -378.721 Base-Backbone interact. energy: -3.800 local terms energy: -392.832734 where: bonds (distance) C4'-P energy: -68.720 bonds (distance) P-C4' energy: -78.817 flat angles C4'-P-C4' energy: -77.496 flat angles P-C4'-P energy: -56.959 tors. eta vs tors. theta energy: -110.840 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: 6 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1230.720247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.720247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.720247 (E_RNA) where: Base-Base interactions energy: -847.884 where: short stacking energy: -391.828 Base-Backbone interact. energy: -1.704 local terms energy: -381.132126 where: bonds (distance) C4'-P energy: -64.193 bonds (distance) P-C4' energy: -74.681 flat angles C4'-P-C4' energy: -89.110 flat angles P-C4'-P energy: -46.111 tors. eta vs tors. theta energy: -107.036 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: 3 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1181.835743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.835743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.835743 (E_RNA) where: Base-Base interactions energy: -819.560 where: short stacking energy: -354.543 Base-Backbone interact. energy: -3.340 local terms energy: -358.936267 where: bonds (distance) C4'-P energy: -64.321 bonds (distance) P-C4' energy: -65.372 flat angles C4'-P-C4' energy: -82.259 flat angles P-C4'-P energy: -58.615 tors. eta vs tors. theta energy: -88.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1070.936888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.936888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.936888 (E_RNA) where: Base-Base interactions energy: -715.480 where: short stacking energy: -341.821 Base-Backbone interact. energy: 0.645 local terms energy: -356.102204 where: bonds (distance) C4'-P energy: -69.983 bonds (distance) P-C4' energy: -76.299 flat angles C4'-P-C4' energy: -70.699 flat angles P-C4'-P energy: -50.494 tors. eta vs tors. theta energy: -88.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1029.172726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.172726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.172726 (E_RNA) where: Base-Base interactions energy: -693.968 where: short stacking energy: -280.142 Base-Backbone interact. energy: 1.860 local terms energy: -337.065610 where: bonds (distance) C4'-P energy: -71.590 bonds (distance) P-C4' energy: -70.607 flat angles C4'-P-C4' energy: -81.212 flat angles P-C4'-P energy: -41.727 tors. eta vs tors. theta energy: -71.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -806.532996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.532996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.532996 (E_RNA) where: Base-Base interactions energy: -493.278 where: short stacking energy: -235.718 Base-Backbone interact. energy: 0.390 local terms energy: -313.645383 where: bonds (distance) C4'-P energy: -67.572 bonds (distance) P-C4' energy: -71.295 flat angles C4'-P-C4' energy: -66.180 flat angles P-C4'-P energy: -58.846 tors. eta vs tors. theta energy: -49.751 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: 2 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -583.930457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.930457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.930457 (E_RNA) where: Base-Base interactions energy: -339.206 where: short stacking energy: -163.600 Base-Backbone interact. energy: -2.505 local terms energy: -242.219753 where: bonds (distance) C4'-P energy: -64.480 bonds (distance) P-C4' energy: -63.344 flat angles C4'-P-C4' energy: -63.873 flat angles P-C4'-P energy: -34.655 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: 10, replica: 1 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -438.824772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.824772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.824772 (E_RNA) where: Base-Base interactions energy: -236.647 where: short stacking energy: -142.581 Base-Backbone interact. energy: 0.578 local terms energy: -202.756279 where: bonds (distance) C4'-P energy: -51.095 bonds (distance) P-C4' energy: -63.422 flat angles C4'-P-C4' energy: -57.109 flat angles P-C4'-P energy: -36.247 tors. eta vs tors. theta energy: 5.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1415.366871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.366871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.366871 (E_RNA) where: Base-Base interactions energy: -985.148 where: short stacking energy: -429.520 Base-Backbone interact. energy: -2.060 local terms energy: -428.159064 where: bonds (distance) C4'-P energy: -72.514 bonds (distance) P-C4' energy: -71.162 flat angles C4'-P-C4' energy: -91.594 flat angles P-C4'-P energy: -59.699 tors. eta vs tors. theta energy: -133.190 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: 10 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1384.189397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.189397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.189397 (E_RNA) where: Base-Base interactions energy: -957.607 where: short stacking energy: -422.730 Base-Backbone interact. energy: -2.049 local terms energy: -424.533711 where: bonds (distance) C4'-P energy: -77.619 bonds (distance) P-C4' energy: -78.922 flat angles C4'-P-C4' energy: -93.248 flat angles P-C4'-P energy: -51.475 tors. eta vs tors. theta energy: -123.269 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: 437 Temperature: 1.000000 Total energy: -1328.857354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.857354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.857354 (E_RNA) where: Base-Base interactions energy: -941.556 where: short stacking energy: -380.031 Base-Backbone interact. energy: -3.208 local terms energy: -384.093296 where: bonds (distance) C4'-P energy: -77.822 bonds (distance) P-C4' energy: -81.139 flat angles C4'-P-C4' energy: -83.898 flat angles P-C4'-P energy: -40.988 tors. eta vs tors. theta energy: -100.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1252.039022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.039022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.039022 (E_RNA) where: Base-Base interactions energy: -848.779 where: short stacking energy: -380.568 Base-Backbone interact. energy: -2.026 local terms energy: -401.234384 where: bonds (distance) C4'-P energy: -75.890 bonds (distance) P-C4' energy: -74.798 flat angles C4'-P-C4' energy: -86.198 flat angles P-C4'-P energy: -57.833 tors. eta vs tors. theta energy: -106.515 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: 3 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1200.524307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.524307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.524307 (E_RNA) where: Base-Base interactions energy: -834.505 where: short stacking energy: -345.779 Base-Backbone interact. energy: 0.568 local terms energy: -366.586508 where: bonds (distance) C4'-P energy: -60.778 bonds (distance) P-C4' energy: -79.321 flat angles C4'-P-C4' energy: -71.637 flat angles P-C4'-P energy: -55.319 tors. eta vs tors. theta energy: -99.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1073.802534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.802534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.802534 (E_RNA) where: Base-Base interactions energy: -708.517 where: short stacking energy: -332.010 Base-Backbone interact. energy: 1.288 local terms energy: -366.573986 where: bonds (distance) C4'-P energy: -77.240 bonds (distance) P-C4' energy: -72.106 flat angles C4'-P-C4' energy: -72.105 flat angles P-C4'-P energy: -56.419 tors. eta vs tors. theta energy: -88.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1032.824250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.824250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.824250 (E_RNA) where: Base-Base interactions energy: -708.725 where: short stacking energy: -292.898 Base-Backbone interact. energy: -1.621 local terms energy: -322.477994 where: bonds (distance) C4'-P energy: -51.793 bonds (distance) P-C4' energy: -75.843 flat angles C4'-P-C4' energy: -72.273 flat angles P-C4'-P energy: -50.459 tors. eta vs tors. theta energy: -72.109 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: 7 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -841.499120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.499120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.499120 (E_RNA) where: Base-Base interactions energy: -544.223 where: short stacking energy: -262.463 Base-Backbone interact. energy: -2.539 local terms energy: -294.737259 where: bonds (distance) C4'-P energy: -51.097 bonds (distance) P-C4' energy: -63.123 flat angles C4'-P-C4' energy: -73.051 flat angles P-C4'-P energy: -46.027 tors. eta vs tors. theta energy: -61.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -592.944256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.944256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.944256 (E_RNA) where: Base-Base interactions energy: -337.551 where: short stacking energy: -158.096 Base-Backbone interact. energy: -1.516 local terms energy: -253.877819 where: bonds (distance) C4'-P energy: -69.695 bonds (distance) P-C4' energy: -71.259 flat angles C4'-P-C4' energy: -58.216 flat angles P-C4'-P energy: -40.573 tors. eta vs tors. theta energy: -14.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -484.585549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.585549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.585549 (E_RNA) where: Base-Base interactions energy: -247.687 where: short stacking energy: -135.819 Base-Backbone interact. energy: -1.853 local terms energy: -235.045327 where: bonds (distance) C4'-P energy: -59.979 bonds (distance) P-C4' energy: -57.579 flat angles C4'-P-C4' energy: -63.923 flat angles P-C4'-P energy: -42.815 tors. eta vs tors. theta energy: -10.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1451.124553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.124553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.124553 (E_RNA) where: Base-Base interactions energy: -1005.301 where: short stacking energy: -443.776 Base-Backbone interact. energy: -1.509 local terms energy: -444.314015 where: bonds (distance) C4'-P energy: -69.725 bonds (distance) P-C4' energy: -83.560 flat angles C4'-P-C4' energy: -96.529 flat angles P-C4'-P energy: -57.327 tors. eta vs tors. theta energy: -137.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1376.792858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.792858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.792858 (E_RNA) where: Base-Base interactions energy: -966.793 where: short stacking energy: -397.014 Base-Backbone interact. energy: -1.002 local terms energy: -408.998432 where: bonds (distance) C4'-P energy: -60.774 bonds (distance) P-C4' energy: -83.196 flat angles C4'-P-C4' energy: -91.082 flat angles P-C4'-P energy: -61.511 tors. eta vs tors. theta energy: -112.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1276.191042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.191042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.191042 (E_RNA) where: Base-Base interactions energy: -857.462 where: short stacking energy: -389.617 Base-Backbone interact. energy: -1.909 local terms energy: -416.819796 where: bonds (distance) C4'-P energy: -75.474 bonds (distance) P-C4' energy: -78.832 flat angles C4'-P-C4' energy: -87.298 flat angles P-C4'-P energy: -61.401 tors. eta vs tors. theta energy: -113.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1261.407869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.407869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.407869 (E_RNA) where: Base-Base interactions energy: -885.658 where: short stacking energy: -350.708 Base-Backbone interact. energy: 0.740 local terms energy: -376.489761 where: bonds (distance) C4'-P energy: -69.623 bonds (distance) P-C4' energy: -71.903 flat angles C4'-P-C4' energy: -76.952 flat angles P-C4'-P energy: -53.651 tors. eta vs tors. theta energy: -104.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1191.124210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.124210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.124210 (E_RNA) where: Base-Base interactions energy: -808.736 where: short stacking energy: -345.363 Base-Backbone interact. energy: 0.549 local terms energy: -382.937285 where: bonds (distance) C4'-P energy: -65.096 bonds (distance) P-C4' energy: -73.568 flat angles C4'-P-C4' energy: -83.197 flat angles P-C4'-P energy: -56.925 tors. eta vs tors. theta energy: -104.152 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: 4 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1055.452815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.452815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.452815 (E_RNA) where: Base-Base interactions energy: -698.458 where: short stacking energy: -311.127 Base-Backbone interact. energy: -1.714 local terms energy: -355.280532 where: bonds (distance) C4'-P energy: -72.632 bonds (distance) P-C4' energy: -81.484 flat angles C4'-P-C4' energy: -70.380 flat angles P-C4'-P energy: -53.167 tors. eta vs tors. theta energy: -77.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1029.388833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.388833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.388833 (E_RNA) where: Base-Base interactions energy: -693.863 where: short stacking energy: -302.541 Base-Backbone interact. energy: -0.720 local terms energy: -334.805639 where: bonds (distance) C4'-P energy: -68.454 bonds (distance) P-C4' energy: -76.206 flat angles C4'-P-C4' energy: -77.194 flat angles P-C4'-P energy: -46.062 tors. eta vs tors. theta energy: -66.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -830.388224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.388224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.388224 (E_RNA) where: Base-Base interactions energy: -519.237 where: short stacking energy: -230.020 Base-Backbone interact. energy: -2.657 local terms energy: -308.494990 where: bonds (distance) C4'-P energy: -62.495 bonds (distance) P-C4' energy: -74.980 flat angles C4'-P-C4' energy: -71.102 flat angles P-C4'-P energy: -36.403 tors. eta vs tors. theta energy: -63.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -529.022561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.022561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.022561 (E_RNA) where: Base-Base interactions energy: -293.109 where: short stacking energy: -143.094 Base-Backbone interact. energy: -1.113 local terms energy: -234.800307 where: bonds (distance) C4'-P energy: -77.491 bonds (distance) P-C4' energy: -69.582 flat angles C4'-P-C4' energy: -59.356 flat angles P-C4'-P energy: -23.042 tors. eta vs tors. theta energy: -5.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -562.738068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.738068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.738068 (E_RNA) where: Base-Base interactions energy: -321.621 where: short stacking energy: -159.919 Base-Backbone interact. energy: -1.464 local terms energy: -239.653615 where: bonds (distance) C4'-P energy: -64.638 bonds (distance) P-C4' energy: -67.449 flat angles C4'-P-C4' energy: -68.063 flat angles P-C4'-P energy: -23.201 tors. eta vs tors. theta energy: -16.303 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: 9 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1438.597510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.597510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.597510 (E_RNA) where: Base-Base interactions energy: -984.582 where: short stacking energy: -430.710 Base-Backbone interact. energy: -2.133 local terms energy: -451.882840 where: bonds (distance) C4'-P energy: -78.741 bonds (distance) P-C4' energy: -79.460 flat angles C4'-P-C4' energy: -90.317 flat angles P-C4'-P energy: -64.434 tors. eta vs tors. theta energy: -138.931 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: 10 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1373.578491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.578491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.578491 (E_RNA) where: Base-Base interactions energy: -943.512 where: short stacking energy: -412.544 Base-Backbone interact. energy: -1.425 local terms energy: -428.641797 where: bonds (distance) C4'-P energy: -73.963 bonds (distance) P-C4' energy: -76.987 flat angles C4'-P-C4' energy: -90.588 flat angles P-C4'-P energy: -60.189 tors. eta vs tors. theta energy: -126.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1277.753023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.753023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.753023 (E_RNA) where: Base-Base interactions energy: -868.196 where: short stacking energy: -394.126 Base-Backbone interact. energy: -2.513 local terms energy: -407.044017 where: bonds (distance) C4'-P energy: -67.117 bonds (distance) P-C4' energy: -83.198 flat angles C4'-P-C4' energy: -78.765 flat angles P-C4'-P energy: -61.668 tors. eta vs tors. theta energy: -116.296 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: 439 Temperature: 1.050000 Total energy: -1274.744075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.744075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.744075 (E_RNA) where: Base-Base interactions energy: -886.161 where: short stacking energy: -384.852 Base-Backbone interact. energy: 0.403 local terms energy: -388.986470 where: bonds (distance) C4'-P energy: -60.837 bonds (distance) P-C4' energy: -68.322 flat angles C4'-P-C4' energy: -83.834 flat angles P-C4'-P energy: -58.830 tors. eta vs tors. theta energy: -117.164 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: 3 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1177.485925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.485925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.485925 (E_RNA) where: Base-Base interactions energy: -819.395 where: short stacking energy: -337.170 Base-Backbone interact. energy: -1.830 local terms energy: -356.261401 where: bonds (distance) C4'-P energy: -59.863 bonds (distance) P-C4' energy: -70.733 flat angles C4'-P-C4' energy: -79.400 flat angles P-C4'-P energy: -46.282 tors. eta vs tors. theta energy: -99.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1103.575703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.575703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.575703 (E_RNA) where: Base-Base interactions energy: -752.920 where: short stacking energy: -311.299 Base-Backbone interact. energy: -1.838 local terms energy: -348.817878 where: bonds (distance) C4'-P energy: -65.371 bonds (distance) P-C4' energy: -69.639 flat angles C4'-P-C4' energy: -79.206 flat angles P-C4'-P energy: -56.301 tors. eta vs tors. theta energy: -78.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1013.141937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.141937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.141937 (E_RNA) where: Base-Base interactions energy: -679.775 where: short stacking energy: -316.926 Base-Backbone interact. energy: -0.946 local terms energy: -332.420518 where: bonds (distance) C4'-P energy: -62.082 bonds (distance) P-C4' energy: -63.574 flat angles C4'-P-C4' energy: -78.869 flat angles P-C4'-P energy: -40.228 tors. eta vs tors. theta energy: -87.667 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: 7 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -827.215766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.215766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.215766 (E_RNA) where: Base-Base interactions energy: -532.160 where: short stacking energy: -252.194 Base-Backbone interact. energy: 0.163 local terms energy: -295.218661 where: bonds (distance) C4'-P energy: -58.449 bonds (distance) P-C4' energy: -63.104 flat angles C4'-P-C4' energy: -70.090 flat angles P-C4'-P energy: -44.888 tors. eta vs tors. theta energy: -58.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -586.868984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.868984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.868984 (E_RNA) where: Base-Base interactions energy: -329.950 where: short stacking energy: -165.732 Base-Backbone interact. energy: -1.013 local terms energy: -255.906065 where: bonds (distance) C4'-P energy: -62.316 bonds (distance) P-C4' energy: -77.808 flat angles C4'-P-C4' energy: -60.890 flat angles P-C4'-P energy: -41.637 tors. eta vs tors. theta energy: -13.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -559.539919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.539919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.539919 (E_RNA) where: Base-Base interactions energy: -325.994 where: short stacking energy: -156.133 Base-Backbone interact. energy: -1.758 local terms energy: -231.788093 where: bonds (distance) C4'-P energy: -43.499 bonds (distance) P-C4' energy: -67.635 flat angles C4'-P-C4' energy: -46.516 flat angles P-C4'-P energy: -52.867 tors. eta vs tors. theta energy: -21.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1427.524558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.524558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.524558 (E_RNA) where: Base-Base interactions energy: -987.958 where: short stacking energy: -429.263 Base-Backbone interact. energy: -0.821 local terms energy: -438.745775 where: bonds (distance) C4'-P energy: -85.273 bonds (distance) P-C4' energy: -76.304 flat angles C4'-P-C4' energy: -86.266 flat angles P-C4'-P energy: -58.793 tors. eta vs tors. theta energy: -132.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1349.945069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.945069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.945069 (E_RNA) where: Base-Base interactions energy: -923.125 where: short stacking energy: -402.097 Base-Backbone interact. energy: 0.468 local terms energy: -427.288289 where: bonds (distance) C4'-P energy: -82.634 bonds (distance) P-C4' energy: -74.174 flat angles C4'-P-C4' energy: -89.823 flat angles P-C4'-P energy: -60.289 tors. eta vs tors. theta energy: -120.368 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: 3, replica: 5 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1303.434292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.434292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.434292 (E_RNA) where: Base-Base interactions energy: -906.706 where: short stacking energy: -413.768 Base-Backbone interact. energy: -1.208 local terms energy: -395.520613 where: bonds (distance) C4'-P energy: -75.066 bonds (distance) P-C4' energy: -71.934 flat angles C4'-P-C4' energy: -79.699 flat angles P-C4'-P energy: -59.419 tors. eta vs tors. theta energy: -109.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1249.214029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.214029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.214029 (E_RNA) where: Base-Base interactions energy: -889.887 where: short stacking energy: -380.858 Base-Backbone interact. energy: -2.209 local terms energy: -357.118654 where: bonds (distance) C4'-P energy: -74.462 bonds (distance) P-C4' energy: -62.922 flat angles C4'-P-C4' energy: -82.670 flat angles P-C4'-P energy: -39.416 tors. eta vs tors. theta energy: -97.648 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: 3 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1170.337169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.337169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.337169 (E_RNA) where: Base-Base interactions energy: -817.060 where: short stacking energy: -346.289 Base-Backbone interact. energy: -0.072 local terms energy: -353.205299 where: bonds (distance) C4'-P energy: -77.168 bonds (distance) P-C4' energy: -68.223 flat angles C4'-P-C4' energy: -76.883 flat angles P-C4'-P energy: -34.502 tors. eta vs tors. theta energy: -96.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1042.223663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.223663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.223663 (E_RNA) where: Base-Base interactions energy: -706.789 where: short stacking energy: -280.329 Base-Backbone interact. energy: -3.643 local terms energy: -331.791685 where: bonds (distance) C4'-P energy: -73.519 bonds (distance) P-C4' energy: -62.320 flat angles C4'-P-C4' energy: -76.513 flat angles P-C4'-P energy: -46.404 tors. eta vs tors. theta energy: -73.036 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: 4 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1081.922513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.922513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.922513 (E_RNA) where: Base-Base interactions energy: -707.281 where: short stacking energy: -311.966 Base-Backbone interact. energy: -2.137 local terms energy: -372.504539 where: bonds (distance) C4'-P energy: -72.710 bonds (distance) P-C4' energy: -72.930 flat angles C4'-P-C4' energy: -77.667 flat angles P-C4'-P energy: -60.138 tors. eta vs tors. theta energy: -89.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -787.258662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.258662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.258662 (E_RNA) where: Base-Base interactions energy: -514.720 where: short stacking energy: -241.143 Base-Backbone interact. energy: -0.593 local terms energy: -271.945668 where: bonds (distance) C4'-P energy: -56.905 bonds (distance) P-C4' energy: -59.887 flat angles C4'-P-C4' energy: -76.665 flat angles P-C4'-P energy: -27.104 tors. eta vs tors. theta energy: -51.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -614.862806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.862806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.862806 (E_RNA) where: Base-Base interactions energy: -387.357 where: short stacking energy: -197.211 Base-Backbone interact. energy: 2.544 local terms energy: -230.049498 where: bonds (distance) C4'-P energy: -60.972 bonds (distance) P-C4' energy: -68.504 flat angles C4'-P-C4' energy: -46.460 flat angles P-C4'-P energy: -29.818 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: 2 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -525.917283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.917283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.917283 (E_RNA) where: Base-Base interactions energy: -270.940 where: short stacking energy: -149.174 Base-Backbone interact. energy: -1.394 local terms energy: -253.583124 where: bonds (distance) C4'-P energy: -67.294 bonds (distance) P-C4' energy: -69.204 flat angles C4'-P-C4' energy: -61.761 flat angles P-C4'-P energy: -40.064 tors. eta vs tors. theta energy: -15.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1446.686358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.686358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.686358 (E_RNA) where: Base-Base interactions energy: -991.428 where: short stacking energy: -430.457 Base-Backbone interact. energy: -1.391 local terms energy: -453.867147 where: bonds (distance) C4'-P energy: -84.581 bonds (distance) P-C4' energy: -80.882 flat angles C4'-P-C4' energy: -96.421 flat angles P-C4'-P energy: -65.226 tors. eta vs tors. theta energy: -126.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1363.308703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.308703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.308703 (E_RNA) where: Base-Base interactions energy: -947.613 where: short stacking energy: -445.601 Base-Backbone interact. energy: -1.079 local terms energy: -414.616325 where: bonds (distance) C4'-P energy: -63.043 bonds (distance) P-C4' energy: -77.312 flat angles C4'-P-C4' energy: -91.106 flat angles P-C4'-P energy: -55.300 tors. eta vs tors. theta energy: -127.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1260.074394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.074394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.074394 (E_RNA) where: Base-Base interactions energy: -841.480 where: short stacking energy: -400.980 Base-Backbone interact. energy: -1.432 local terms energy: -417.162357 where: bonds (distance) C4'-P energy: -78.902 bonds (distance) P-C4' energy: -69.467 flat angles C4'-P-C4' energy: -94.028 flat angles P-C4'-P energy: -61.127 tors. eta vs tors. theta energy: -113.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1241.790758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.790758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.790758 (E_RNA) where: Base-Base interactions energy: -865.260 where: short stacking energy: -376.886 Base-Backbone interact. energy: 0.571 local terms energy: -377.102546 where: bonds (distance) C4'-P energy: -66.486 bonds (distance) P-C4' energy: -73.011 flat angles C4'-P-C4' energy: -80.963 flat angles P-C4'-P energy: -46.622 tors. eta vs tors. theta energy: -110.020 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: 5, replica: 3 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1146.758476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.758476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.758476 (E_RNA) where: Base-Base interactions energy: -796.672 where: short stacking energy: -339.027 Base-Backbone interact. energy: -3.463 local terms energy: -346.623022 where: bonds (distance) C4'-P energy: -78.022 bonds (distance) P-C4' energy: -69.592 flat angles C4'-P-C4' energy: -66.536 flat angles P-C4'-P energy: -50.404 tors. eta vs tors. theta energy: -82.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1096.474364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.474364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.474364 (E_RNA) where: Base-Base interactions energy: -730.470 where: short stacking energy: -314.934 Base-Backbone interact. energy: -1.622 local terms energy: -364.382537 where: bonds (distance) C4'-P energy: -63.383 bonds (distance) P-C4' energy: -73.054 flat angles C4'-P-C4' energy: -79.144 flat angles P-C4'-P energy: -60.787 tors. eta vs tors. theta energy: -88.014 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: 4 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1010.832817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.832817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.832817 (E_RNA) where: Base-Base interactions energy: -676.273 where: short stacking energy: -311.366 Base-Backbone interact. energy: -1.513 local terms energy: -333.047571 where: bonds (distance) C4'-P energy: -62.823 bonds (distance) P-C4' energy: -73.485 flat angles C4'-P-C4' energy: -75.412 flat angles P-C4'-P energy: -49.167 tors. eta vs tors. theta energy: -72.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -736.379847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.379847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.379847 (E_RNA) where: Base-Base interactions energy: -466.839 where: short stacking energy: -221.470 Base-Backbone interact. energy: 2.071 local terms energy: -271.612414 where: bonds (distance) C4'-P energy: -57.423 bonds (distance) P-C4' energy: -74.047 flat angles C4'-P-C4' energy: -67.798 flat angles P-C4'-P energy: -29.762 tors. eta vs tors. theta energy: -42.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -609.728541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.728541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.728541 (E_RNA) where: Base-Base interactions energy: -343.370 where: short stacking energy: -186.809 Base-Backbone interact. energy: 2.899 local terms energy: -269.258022 where: bonds (distance) C4'-P energy: -78.899 bonds (distance) P-C4' energy: -78.076 flat angles C4'-P-C4' energy: -52.204 flat angles P-C4'-P energy: -39.028 tors. eta vs tors. theta energy: -21.051 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: 10, replica: 2 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -544.925782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.925782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.925782 (E_RNA) where: Base-Base interactions energy: -321.064 where: short stacking energy: -173.553 Base-Backbone interact. energy: 0.373 local terms energy: -224.234559 where: bonds (distance) C4'-P energy: -65.264 bonds (distance) P-C4' energy: -58.052 flat angles C4'-P-C4' energy: -55.802 flat angles P-C4'-P energy: -28.255 tors. eta vs tors. theta energy: -16.862 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: 9 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1438.145345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.145345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.145345 (E_RNA) where: Base-Base interactions energy: -992.491 where: short stacking energy: -423.384 Base-Backbone interact. energy: -0.349 local terms energy: -445.305476 where: bonds (distance) C4'-P energy: -78.215 bonds (distance) P-C4' energy: -82.828 flat angles C4'-P-C4' energy: -89.202 flat angles P-C4'-P energy: -61.433 tors. eta vs tors. theta energy: -133.627 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: 442 Temperature: 0.950000 Total energy: -1390.352020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.352020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.352020 (E_RNA) where: Base-Base interactions energy: -953.392 where: short stacking energy: -441.865 Base-Backbone interact. energy: -0.800 local terms energy: -436.160293 where: bonds (distance) C4'-P energy: -81.272 bonds (distance) P-C4' energy: -76.268 flat angles C4'-P-C4' energy: -89.622 flat angles P-C4'-P energy: -58.155 tors. eta vs tors. theta energy: -130.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1310.315842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.315842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.315842 (E_RNA) where: Base-Base interactions energy: -911.135 where: short stacking energy: -390.480 Base-Backbone interact. energy: -0.257 local terms energy: -398.923615 where: bonds (distance) C4'-P energy: -69.096 bonds (distance) P-C4' energy: -83.481 flat angles C4'-P-C4' energy: -79.338 flat angles P-C4'-P energy: -57.762 tors. eta vs tors. theta energy: -109.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1225.641691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.641691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.641691 (E_RNA) where: Base-Base interactions energy: -854.541 where: short stacking energy: -377.677 Base-Backbone interact. energy: -2.268 local terms energy: -368.832052 where: bonds (distance) C4'-P energy: -74.826 bonds (distance) P-C4' energy: -62.953 flat angles C4'-P-C4' energy: -78.865 flat angles P-C4'-P energy: -51.230 tors. eta vs tors. theta energy: -100.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1163.403423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.403423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.403423 (E_RNA) where: Base-Base interactions energy: -788.199 where: short stacking energy: -342.668 Base-Backbone interact. energy: -2.692 local terms energy: -372.511983 where: bonds (distance) C4'-P energy: -72.250 bonds (distance) P-C4' energy: -75.600 flat angles C4'-P-C4' energy: -83.960 flat angles P-C4'-P energy: -54.151 tors. eta vs tors. theta energy: -86.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1122.450655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.450655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.450655 (E_RNA) where: Base-Base interactions energy: -769.249 where: short stacking energy: -312.162 Base-Backbone interact. energy: -0.514 local terms energy: -352.688081 where: bonds (distance) C4'-P energy: -68.068 bonds (distance) P-C4' energy: -67.352 flat angles C4'-P-C4' energy: -76.045 flat angles P-C4'-P energy: -58.089 tors. eta vs tors. theta energy: -83.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -976.145067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.145067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.145067 (E_RNA) where: Base-Base interactions energy: -657.110 where: short stacking energy: -294.342 Base-Backbone interact. energy: -2.278 local terms energy: -316.757482 where: bonds (distance) C4'-P energy: -61.820 bonds (distance) P-C4' energy: -57.385 flat angles C4'-P-C4' energy: -74.072 flat angles P-C4'-P energy: -48.272 tors. eta vs tors. theta energy: -75.208 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: 8, replica: 7 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -726.092519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.092519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.092519 (E_RNA) where: Base-Base interactions energy: -455.858 where: short stacking energy: -234.367 Base-Backbone interact. energy: -2.034 local terms energy: -268.200263 where: bonds (distance) C4'-P energy: -70.723 bonds (distance) P-C4' energy: -69.917 flat angles C4'-P-C4' energy: -63.674 flat angles P-C4'-P energy: -32.806 tors. eta vs tors. theta energy: -31.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -531.030045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.030045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.030045 (E_RNA) where: Base-Base interactions energy: -283.775 where: short stacking energy: -153.260 Base-Backbone interact. energy: -1.360 local terms energy: -245.895559 where: bonds (distance) C4'-P energy: -70.017 bonds (distance) P-C4' energy: -73.666 flat angles C4'-P-C4' energy: -64.878 flat angles P-C4'-P energy: -37.450 tors. eta vs tors. theta energy: 0.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -533.895933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.895933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.895933 (E_RNA) where: Base-Base interactions energy: -311.382 where: short stacking energy: -158.098 Base-Backbone interact. energy: 6.374 local terms energy: -228.888128 where: bonds (distance) C4'-P energy: -62.520 bonds (distance) P-C4' energy: -59.777 flat angles C4'-P-C4' energy: -62.844 flat angles P-C4'-P energy: -29.222 tors. eta vs tors. theta energy: -14.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1430.173653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.173653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.173653 (E_RNA) where: Base-Base interactions energy: -991.723 where: short stacking energy: -425.877 Base-Backbone interact. energy: -2.148 local terms energy: -436.303479 where: bonds (distance) C4'-P energy: -77.245 bonds (distance) P-C4' energy: -85.843 flat angles C4'-P-C4' energy: -89.699 flat angles P-C4'-P energy: -57.805 tors. eta vs tors. theta energy: -125.711 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: 443 Temperature: 0.950000 Total energy: -1380.289024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.289024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.289024 (E_RNA) where: Base-Base interactions energy: -950.949 where: short stacking energy: -418.035 Base-Backbone interact. energy: -1.388 local terms energy: -427.951554 where: bonds (distance) C4'-P energy: -75.686 bonds (distance) P-C4' energy: -84.818 flat angles C4'-P-C4' energy: -87.244 flat angles P-C4'-P energy: -58.341 tors. eta vs tors. theta energy: -121.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1283.515836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.515836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.515836 (E_RNA) where: Base-Base interactions energy: -890.999 where: short stacking energy: -395.750 Base-Backbone interact. energy: 1.381 local terms energy: -393.898040 where: bonds (distance) C4'-P energy: -76.923 bonds (distance) P-C4' energy: -63.365 flat angles C4'-P-C4' energy: -88.583 flat angles P-C4'-P energy: -48.630 tors. eta vs tors. theta energy: -116.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1231.535145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.535145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.535145 (E_RNA) where: Base-Base interactions energy: -847.169 where: short stacking energy: -386.599 Base-Backbone interact. energy: -1.538 local terms energy: -382.827269 where: bonds (distance) C4'-P energy: -72.680 bonds (distance) P-C4' energy: -75.695 flat angles C4'-P-C4' energy: -79.081 flat angles P-C4'-P energy: -44.086 tors. eta vs tors. theta energy: -111.285 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: 3 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1126.065883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.065883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.065883 (E_RNA) where: Base-Base interactions energy: -768.617 where: short stacking energy: -321.397 Base-Backbone interact. energy: -1.647 local terms energy: -355.802308 where: bonds (distance) C4'-P energy: -75.703 bonds (distance) P-C4' energy: -85.224 flat angles C4'-P-C4' energy: -72.638 flat angles P-C4'-P energy: -47.209 tors. eta vs tors. theta energy: -75.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1079.394211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.394211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.394211 (E_RNA) where: Base-Base interactions energy: -733.329 where: short stacking energy: -321.198 Base-Backbone interact. energy: -5.629 local terms energy: -340.436135 where: bonds (distance) C4'-P energy: -68.894 bonds (distance) P-C4' energy: -69.746 flat angles C4'-P-C4' energy: -69.338 flat angles P-C4'-P energy: -48.002 tors. eta vs tors. theta energy: -84.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -987.467415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.467415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.467415 (E_RNA) where: Base-Base interactions energy: -667.758 where: short stacking energy: -300.155 Base-Backbone interact. energy: 10.079 local terms energy: -329.787535 where: bonds (distance) C4'-P energy: -65.484 bonds (distance) P-C4' energy: -67.204 flat angles C4'-P-C4' energy: -73.069 flat angles P-C4'-P energy: -46.501 tors. eta vs tors. theta energy: -77.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -711.095587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.095587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.095587 (E_RNA) where: Base-Base interactions energy: -448.895 where: short stacking energy: -203.132 Base-Backbone interact. energy: -0.192 local terms energy: -262.008606 where: bonds (distance) C4'-P energy: -58.900 bonds (distance) P-C4' energy: -59.236 flat angles C4'-P-C4' energy: -67.357 flat angles P-C4'-P energy: -38.499 tors. eta vs tors. theta energy: -38.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -505.418617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.418617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.418617 (E_RNA) where: Base-Base interactions energy: -272.949 where: short stacking energy: -154.485 Base-Backbone interact. energy: 1.133 local terms energy: -233.603078 where: bonds (distance) C4'-P energy: -57.210 bonds (distance) P-C4' energy: -78.504 flat angles C4'-P-C4' energy: -54.845 flat angles P-C4'-P energy: -22.355 tors. eta vs tors. theta energy: -20.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -558.802665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.802665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.802665 (E_RNA) where: Base-Base interactions energy: -312.164 where: short stacking energy: -155.700 Base-Backbone interact. energy: 0.491 local terms energy: -247.129891 where: bonds (distance) C4'-P energy: -54.734 bonds (distance) P-C4' energy: -69.679 flat angles C4'-P-C4' energy: -69.959 flat angles P-C4'-P energy: -35.709 tors. eta vs tors. theta energy: -17.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1432.325273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.325273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.325273 (E_RNA) where: Base-Base interactions energy: -992.627 where: short stacking energy: -443.022 Base-Backbone interact. energy: 0.593 local terms energy: -440.291412 where: bonds (distance) C4'-P energy: -74.932 bonds (distance) P-C4' energy: -75.638 flat angles C4'-P-C4' energy: -92.198 flat angles P-C4'-P energy: -64.879 tors. eta vs tors. theta energy: -132.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1397.553630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.553630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.553630 (E_RNA) where: Base-Base interactions energy: -944.067 where: short stacking energy: -428.843 Base-Backbone interact. energy: -0.105 local terms energy: -453.381689 where: bonds (distance) C4'-P energy: -75.416 bonds (distance) P-C4' energy: -85.727 flat angles C4'-P-C4' energy: -91.931 flat angles P-C4'-P energy: -62.209 tors. eta vs tors. theta energy: -138.100 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: 6 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1295.528954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.528954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.528954 (E_RNA) where: Base-Base interactions energy: -885.442 where: short stacking energy: -393.694 Base-Backbone interact. energy: -1.309 local terms energy: -408.777629 where: bonds (distance) C4'-P energy: -72.052 bonds (distance) P-C4' energy: -78.339 flat angles C4'-P-C4' energy: -90.621 flat angles P-C4'-P energy: -54.383 tors. eta vs tors. theta energy: -113.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1289.512055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.512055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.512055 (E_RNA) where: Base-Base interactions energy: -891.841 where: short stacking energy: -374.285 Base-Backbone interact. energy: -3.696 local terms energy: -393.975017 where: bonds (distance) C4'-P energy: -66.236 bonds (distance) P-C4' energy: -87.700 flat angles C4'-P-C4' energy: -81.176 flat angles P-C4'-P energy: -46.518 tors. eta vs tors. theta energy: -112.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1148.204909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.204909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.204909 (E_RNA) where: Base-Base interactions energy: -786.636 where: short stacking energy: -350.352 Base-Backbone interact. energy: -2.695 local terms energy: -358.873050 where: bonds (distance) C4'-P energy: -62.276 bonds (distance) P-C4' energy: -73.357 flat angles C4'-P-C4' energy: -75.267 flat angles P-C4'-P energy: -46.796 tors. eta vs tors. theta energy: -101.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1056.601244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.601244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.601244 (E_RNA) where: Base-Base interactions energy: -704.153 where: short stacking energy: -295.796 Base-Backbone interact. energy: -2.611 local terms energy: -349.836763 where: bonds (distance) C4'-P energy: -65.146 bonds (distance) P-C4' energy: -76.746 flat angles C4'-P-C4' energy: -72.203 flat angles P-C4'-P energy: -52.422 tors. eta vs tors. theta energy: -83.319 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: 4 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -955.426988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.426988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.426988 (E_RNA) where: Base-Base interactions energy: -631.966 where: short stacking energy: -265.225 Base-Backbone interact. energy: -1.021 local terms energy: -322.439812 where: bonds (distance) C4'-P energy: -74.278 bonds (distance) P-C4' energy: -68.805 flat angles C4'-P-C4' energy: -78.182 flat angles P-C4'-P energy: -37.826 tors. eta vs tors. theta energy: -63.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -698.589640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.589640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.589640 (E_RNA) where: Base-Base interactions energy: -437.748 where: short stacking energy: -204.909 Base-Backbone interact. energy: 2.957 local terms energy: -263.799048 where: bonds (distance) C4'-P energy: -60.637 bonds (distance) P-C4' energy: -63.305 flat angles C4'-P-C4' energy: -55.607 flat angles P-C4'-P energy: -35.495 tors. eta vs tors. theta energy: -48.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -584.950713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.950713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.950713 (E_RNA) where: Base-Base interactions energy: -334.354 where: short stacking energy: -141.509 Base-Backbone interact. energy: -1.878 local terms energy: -248.718610 where: bonds (distance) C4'-P energy: -71.202 bonds (distance) P-C4' energy: -72.406 flat angles C4'-P-C4' energy: -51.248 flat angles P-C4'-P energy: -35.981 tors. eta vs tors. theta energy: -17.882 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: 2 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -492.598497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.598497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.598497 (E_RNA) where: Base-Base interactions energy: -272.824 where: short stacking energy: -140.937 Base-Backbone interact. energy: 2.869 local terms energy: -222.643246 where: bonds (distance) C4'-P energy: -76.405 bonds (distance) P-C4' energy: -65.271 flat angles C4'-P-C4' energy: -51.607 flat angles P-C4'-P energy: -32.556 tors. eta vs tors. theta energy: 3.196 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: 9 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1420.433408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.433408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.433408 (E_RNA) where: Base-Base interactions energy: -981.114 where: short stacking energy: -445.090 Base-Backbone interact. energy: -0.774 local terms energy: -438.546176 where: bonds (distance) C4'-P energy: -77.996 bonds (distance) P-C4' energy: -74.649 flat angles C4'-P-C4' energy: -97.146 flat angles P-C4'-P energy: -62.658 tors. eta vs tors. theta energy: -126.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1380.427349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.427349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.427349 (E_RNA) where: Base-Base interactions energy: -952.266 where: short stacking energy: -417.873 Base-Backbone interact. energy: -1.520 local terms energy: -426.641901 where: bonds (distance) C4'-P energy: -68.865 bonds (distance) P-C4' energy: -74.890 flat angles C4'-P-C4' energy: -97.206 flat angles P-C4'-P energy: -59.587 tors. eta vs tors. theta energy: -126.095 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: 6 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1293.967391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.967391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.967391 (E_RNA) where: Base-Base interactions energy: -896.062 where: short stacking energy: -389.282 Base-Backbone interact. energy: -0.500 local terms energy: -397.405782 where: bonds (distance) C4'-P energy: -84.141 bonds (distance) P-C4' energy: -68.286 flat angles C4'-P-C4' energy: -82.131 flat angles P-C4'-P energy: -58.015 tors. eta vs tors. theta energy: -104.832 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: 5 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1269.704562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.704562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.704562 (E_RNA) where: Base-Base interactions energy: -870.842 where: short stacking energy: -369.493 Base-Backbone interact. energy: -2.851 local terms energy: -396.011159 where: bonds (distance) C4'-P energy: -76.394 bonds (distance) P-C4' energy: -70.387 flat angles C4'-P-C4' energy: -81.591 flat angles P-C4'-P energy: -54.177 tors. eta vs tors. theta energy: -113.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1139.514767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.514767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.514767 (E_RNA) where: Base-Base interactions energy: -781.452 where: short stacking energy: -318.751 Base-Backbone interact. energy: -2.327 local terms energy: -355.736145 where: bonds (distance) C4'-P energy: -67.623 bonds (distance) P-C4' energy: -76.757 flat angles C4'-P-C4' energy: -76.650 flat angles P-C4'-P energy: -44.953 tors. eta vs tors. theta energy: -89.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1053.684980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.684980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.684980 (E_RNA) where: Base-Base interactions energy: -725.277 where: short stacking energy: -311.892 Base-Backbone interact. energy: 0.497 local terms energy: -328.904904 where: bonds (distance) C4'-P energy: -50.198 bonds (distance) P-C4' energy: -65.382 flat angles C4'-P-C4' energy: -79.613 flat angles P-C4'-P energy: -47.369 tors. eta vs tors. theta energy: -86.343 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: 4 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1003.689871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.689871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.689871 (E_RNA) where: Base-Base interactions energy: -650.685 where: short stacking energy: -299.577 Base-Backbone interact. energy: -3.053 local terms energy: -349.951527 where: bonds (distance) C4'-P energy: -70.130 bonds (distance) P-C4' energy: -77.538 flat angles C4'-P-C4' energy: -81.000 flat angles P-C4'-P energy: -47.663 tors. eta vs tors. theta energy: -73.621 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: 7 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -709.520342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.520342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.520342 (E_RNA) where: Base-Base interactions energy: -436.472 where: short stacking energy: -224.172 Base-Backbone interact. energy: -0.987 local terms energy: -272.061040 where: bonds (distance) C4'-P energy: -55.131 bonds (distance) P-C4' energy: -68.835 flat angles C4'-P-C4' energy: -51.546 flat angles P-C4'-P energy: -41.162 tors. eta vs tors. theta energy: -55.387 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: 1 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -600.719778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.719778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.719778 (E_RNA) where: Base-Base interactions energy: -337.918 where: short stacking energy: -175.220 Base-Backbone interact. energy: 0.479 local terms energy: -263.280693 where: bonds (distance) C4'-P energy: -58.259 bonds (distance) P-C4' energy: -70.203 flat angles C4'-P-C4' energy: -68.801 flat angles P-C4'-P energy: -37.385 tors. eta vs tors. theta energy: -28.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -498.356200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.356200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.356200 (E_RNA) where: Base-Base interactions energy: -253.311 where: short stacking energy: -129.432 Base-Backbone interact. energy: 2.779 local terms energy: -247.824782 where: bonds (distance) C4'-P energy: -77.701 bonds (distance) P-C4' energy: -56.403 flat angles C4'-P-C4' energy: -66.400 flat angles P-C4'-P energy: -31.849 tors. eta vs tors. theta energy: -15.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1439.395980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.395980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.395980 (E_RNA) where: Base-Base interactions energy: -1001.964 where: short stacking energy: -445.421 Base-Backbone interact. energy: -1.265 local terms energy: -436.166547 where: bonds (distance) C4'-P energy: -76.937 bonds (distance) P-C4' energy: -76.021 flat angles C4'-P-C4' energy: -86.737 flat angles P-C4'-P energy: -61.882 tors. eta vs tors. theta energy: -134.589 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: 10 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1353.540437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.540437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.540437 (E_RNA) where: Base-Base interactions energy: -936.356 where: short stacking energy: -396.373 Base-Backbone interact. energy: 0.743 local terms energy: -417.927272 where: bonds (distance) C4'-P energy: -71.063 bonds (distance) P-C4' energy: -78.133 flat angles C4'-P-C4' energy: -91.604 flat angles P-C4'-P energy: -57.319 tors. eta vs tors. theta energy: -119.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1318.863559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.863559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.863559 (E_RNA) where: Base-Base interactions energy: -888.288 where: short stacking energy: -380.409 Base-Backbone interact. energy: -3.111 local terms energy: -427.464311 where: bonds (distance) C4'-P energy: -81.200 bonds (distance) P-C4' energy: -76.464 flat angles C4'-P-C4' energy: -89.363 flat angles P-C4'-P energy: -60.069 tors. eta vs tors. theta energy: -120.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1259.365014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.365014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.365014 (E_RNA) where: Base-Base interactions energy: -855.776 where: short stacking energy: -377.137 Base-Backbone interact. energy: 0.807 local terms energy: -404.395515 where: bonds (distance) C4'-P energy: -80.084 bonds (distance) P-C4' energy: -66.596 flat angles C4'-P-C4' energy: -91.084 flat angles P-C4'-P energy: -56.845 tors. eta vs tors. theta energy: -109.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1192.807645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.807645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.807645 (E_RNA) where: Base-Base interactions energy: -829.667 where: short stacking energy: -353.475 Base-Backbone interact. energy: -0.209 local terms energy: -362.931936 where: bonds (distance) C4'-P energy: -60.121 bonds (distance) P-C4' energy: -66.188 flat angles C4'-P-C4' energy: -82.203 flat angles P-C4'-P energy: -54.313 tors. eta vs tors. theta energy: -100.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1053.460938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.460938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.460938 (E_RNA) where: Base-Base interactions energy: -695.855 where: short stacking energy: -306.859 Base-Backbone interact. energy: -1.557 local terms energy: -356.049061 where: bonds (distance) C4'-P energy: -65.281 bonds (distance) P-C4' energy: -75.564 flat angles C4'-P-C4' energy: -78.748 flat angles P-C4'-P energy: -59.613 tors. eta vs tors. theta energy: -76.843 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: 4 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -987.404913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.404913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.404913 (E_RNA) where: Base-Base interactions energy: -646.473 where: short stacking energy: -279.218 Base-Backbone interact. energy: -1.974 local terms energy: -338.957531 where: bonds (distance) C4'-P energy: -67.944 bonds (distance) P-C4' energy: -63.423 flat angles C4'-P-C4' energy: -83.599 flat angles P-C4'-P energy: -52.837 tors. eta vs tors. theta energy: -71.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -713.463422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.463422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.463422 (E_RNA) where: Base-Base interactions energy: -441.253 where: short stacking energy: -227.524 Base-Backbone interact. energy: -1.469 local terms energy: -270.741621 where: bonds (distance) C4'-P energy: -70.233 bonds (distance) P-C4' energy: -66.276 flat angles C4'-P-C4' energy: -59.897 flat angles P-C4'-P energy: -40.626 tors. eta vs tors. theta energy: -33.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -595.127542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.127542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.127542 (E_RNA) where: Base-Base interactions energy: -354.890 where: short stacking energy: -172.687 Base-Backbone interact. energy: 0.381 local terms energy: -240.618827 where: bonds (distance) C4'-P energy: -68.805 bonds (distance) P-C4' energy: -46.394 flat angles C4'-P-C4' energy: -64.339 flat angles P-C4'-P energy: -41.533 tors. eta vs tors. theta energy: -19.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -504.485232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.485232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.485232 (E_RNA) where: Base-Base interactions energy: -285.312 where: short stacking energy: -170.369 Base-Backbone interact. energy: -0.539 local terms energy: -218.634721 where: bonds (distance) C4'-P energy: -64.500 bonds (distance) P-C4' energy: -66.584 flat angles C4'-P-C4' energy: -38.397 flat angles P-C4'-P energy: -31.529 tors. eta vs tors. theta energy: -17.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1402.124540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.124540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.124540 (E_RNA) where: Base-Base interactions energy: -975.314 where: short stacking energy: -418.399 Base-Backbone interact. energy: -3.896 local terms energy: -422.913875 where: bonds (distance) C4'-P energy: -70.237 bonds (distance) P-C4' energy: -74.289 flat angles C4'-P-C4' energy: -92.556 flat angles P-C4'-P energy: -62.907 tors. eta vs tors. theta energy: -122.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1407.042422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.042422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.042422 (E_RNA) where: Base-Base interactions energy: -967.399 where: short stacking energy: -416.434 Base-Backbone interact. energy: -1.000 local terms energy: -438.643630 where: bonds (distance) C4'-P energy: -75.985 bonds (distance) P-C4' energy: -77.095 flat angles C4'-P-C4' energy: -94.184 flat angles P-C4'-P energy: -66.441 tors. eta vs tors. theta energy: -124.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1331.047331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.047331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.047331 (E_RNA) where: Base-Base interactions energy: -917.376 where: short stacking energy: -402.892 Base-Backbone interact. energy: -2.356 local terms energy: -411.315263 where: bonds (distance) C4'-P energy: -72.347 bonds (distance) P-C4' energy: -81.872 flat angles C4'-P-C4' energy: -79.261 flat angles P-C4'-P energy: -58.879 tors. eta vs tors. theta energy: -118.957 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: 447 Temperature: 1.050000 Total energy: -1288.309444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.309444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.309444 (E_RNA) where: Base-Base interactions energy: -889.408 where: short stacking energy: -381.495 Base-Backbone interact. energy: -2.563 local terms energy: -396.338523 where: bonds (distance) C4'-P energy: -72.848 bonds (distance) P-C4' energy: -73.992 flat angles C4'-P-C4' energy: -88.338 flat angles P-C4'-P energy: -51.444 tors. eta vs tors. theta energy: -109.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1206.413577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.413577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.413577 (E_RNA) where: Base-Base interactions energy: -833.172 where: short stacking energy: -341.235 Base-Backbone interact. energy: 0.302 local terms energy: -373.543518 where: bonds (distance) C4'-P energy: -81.921 bonds (distance) P-C4' energy: -76.226 flat angles C4'-P-C4' energy: -75.090 flat angles P-C4'-P energy: -56.133 tors. eta vs tors. theta energy: -84.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1067.349179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.349179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.349179 (E_RNA) where: Base-Base interactions energy: -710.930 where: short stacking energy: -323.517 Base-Backbone interact. energy: 0.463 local terms energy: -356.881979 where: bonds (distance) C4'-P energy: -71.357 bonds (distance) P-C4' energy: -68.349 flat angles C4'-P-C4' energy: -72.122 flat angles P-C4'-P energy: -61.338 tors. eta vs tors. theta energy: -83.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1010.392446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.392446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.392446 (E_RNA) where: Base-Base interactions energy: -711.556 where: short stacking energy: -307.817 Base-Backbone interact. energy: -2.323 local terms energy: -296.513105 where: bonds (distance) C4'-P energy: -58.269 bonds (distance) P-C4' energy: -47.036 flat angles C4'-P-C4' energy: -79.959 flat angles P-C4'-P energy: -41.822 tors. eta vs tors. theta energy: -69.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -721.688525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.688525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.688525 (E_RNA) where: Base-Base interactions energy: -441.988 where: short stacking energy: -205.578 Base-Backbone interact. energy: 0.892 local terms energy: -280.593154 where: bonds (distance) C4'-P energy: -59.224 bonds (distance) P-C4' energy: -76.946 flat angles C4'-P-C4' energy: -54.116 flat angles P-C4'-P energy: -40.614 tors. eta vs tors. theta energy: -49.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -589.769835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.769835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.769835 (E_RNA) where: Base-Base interactions energy: -338.162 where: short stacking energy: -186.853 Base-Backbone interact. energy: -1.064 local terms energy: -250.544013 where: bonds (distance) C4'-P energy: -50.330 bonds (distance) P-C4' energy: -76.096 flat angles C4'-P-C4' energy: -58.829 flat angles P-C4'-P energy: -44.926 tors. eta vs tors. theta energy: -20.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -516.251768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.251768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.251768 (E_RNA) where: Base-Base interactions energy: -308.316 where: short stacking energy: -150.084 Base-Backbone interact. energy: 2.790 local terms energy: -210.726485 where: bonds (distance) C4'-P energy: -66.553 bonds (distance) P-C4' energy: -47.696 flat angles C4'-P-C4' energy: -49.471 flat angles P-C4'-P energy: -37.151 tors. eta vs tors. theta energy: -9.856 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: 10 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1402.819188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.819188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.819188 (E_RNA) where: Base-Base interactions energy: -964.845 where: short stacking energy: -427.038 Base-Backbone interact. energy: 0.210 local terms energy: -438.183298 where: bonds (distance) C4'-P energy: -79.052 bonds (distance) P-C4' energy: -83.992 flat angles C4'-P-C4' energy: -85.675 flat angles P-C4'-P energy: -66.211 tors. eta vs tors. theta energy: -123.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1397.494854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.494854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.494854 (E_RNA) where: Base-Base interactions energy: -953.597 where: short stacking energy: -424.736 Base-Backbone interact. energy: -1.390 local terms energy: -442.507913 where: bonds (distance) C4'-P energy: -77.414 bonds (distance) P-C4' energy: -82.190 flat angles C4'-P-C4' energy: -87.640 flat angles P-C4'-P energy: -65.560 tors. eta vs tors. theta energy: -129.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1314.785548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.785548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.785548 (E_RNA) where: Base-Base interactions energy: -897.511 where: short stacking energy: -405.383 Base-Backbone interact. energy: -1.599 local terms energy: -415.674851 where: bonds (distance) C4'-P energy: -71.348 bonds (distance) P-C4' energy: -80.072 flat angles C4'-P-C4' energy: -81.596 flat angles P-C4'-P energy: -58.082 tors. eta vs tors. theta energy: -124.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1254.742809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.742809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.742809 (E_RNA) where: Base-Base interactions energy: -853.755 where: short stacking energy: -377.590 Base-Backbone interact. energy: -1.719 local terms energy: -399.269348 where: bonds (distance) C4'-P energy: -75.118 bonds (distance) P-C4' energy: -69.983 flat angles C4'-P-C4' energy: -81.354 flat angles P-C4'-P energy: -63.340 tors. eta vs tors. theta energy: -109.475 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: 448 Temperature: 1.100000 Total energy: -1163.418845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.418845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.418845 (E_RNA) where: Base-Base interactions energy: -815.187 where: short stacking energy: -340.742 Base-Backbone interact. energy: -2.658 local terms energy: -345.573735 where: bonds (distance) C4'-P energy: -61.595 bonds (distance) P-C4' energy: -69.187 flat angles C4'-P-C4' energy: -76.536 flat angles P-C4'-P energy: -52.297 tors. eta vs tors. theta energy: -85.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1094.999885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.999885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.999885 (E_RNA) where: Base-Base interactions energy: -737.254 where: short stacking energy: -346.519 Base-Backbone interact. energy: -0.798 local terms energy: -356.948100 where: bonds (distance) C4'-P energy: -61.549 bonds (distance) P-C4' energy: -84.664 flat angles C4'-P-C4' energy: -72.108 flat angles P-C4'-P energy: -51.454 tors. eta vs tors. theta energy: -87.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1012.428286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.428286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.428286 (E_RNA) where: Base-Base interactions energy: -685.180 where: short stacking energy: -280.561 Base-Backbone interact. energy: -0.371 local terms energy: -326.877716 where: bonds (distance) C4'-P energy: -62.221 bonds (distance) P-C4' energy: -73.129 flat angles C4'-P-C4' energy: -75.945 flat angles P-C4'-P energy: -43.478 tors. eta vs tors. theta energy: -72.105 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: 8, replica: 7 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -664.146290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.146290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.146290 (E_RNA) where: Base-Base interactions energy: -393.168 where: short stacking energy: -195.199 Base-Backbone interact. energy: -1.001 local terms energy: -269.977418 where: bonds (distance) C4'-P energy: -75.275 bonds (distance) P-C4' energy: -57.611 flat angles C4'-P-C4' energy: -57.786 flat angles P-C4'-P energy: -40.253 tors. eta vs tors. theta energy: -39.052 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: 448 Temperature: 1.300000 Total energy: -584.374361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.374361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.374361 (E_RNA) where: Base-Base interactions energy: -341.733 where: short stacking energy: -162.053 Base-Backbone interact. energy: -1.605 local terms energy: -241.035935 where: bonds (distance) C4'-P energy: -64.686 bonds (distance) P-C4' energy: -65.853 flat angles C4'-P-C4' energy: -67.449 flat angles P-C4'-P energy: -36.345 tors. eta vs tors. theta energy: -6.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -558.308327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.308327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.308327 (E_RNA) where: Base-Base interactions energy: -350.229 where: short stacking energy: -185.531 Base-Backbone interact. energy: 0.289 local terms energy: -208.368620 where: bonds (distance) C4'-P energy: -56.383 bonds (distance) P-C4' energy: -60.470 flat angles C4'-P-C4' energy: -61.888 flat angles P-C4'-P energy: -16.750 tors. eta vs tors. theta energy: -12.877 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: 449 Temperature: 0.900000 Total energy: -1413.390025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.390025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.390025 (E_RNA) where: Base-Base interactions energy: -975.527 where: short stacking energy: -410.091 Base-Backbone interact. energy: -1.585 local terms energy: -436.277633 where: bonds (distance) C4'-P energy: -84.239 bonds (distance) P-C4' energy: -75.584 flat angles C4'-P-C4' energy: -93.375 flat angles P-C4'-P energy: -64.293 tors. eta vs tors. theta energy: -118.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1405.769944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.769944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.769944 (E_RNA) where: Base-Base interactions energy: -963.585 where: short stacking energy: -429.940 Base-Backbone interact. energy: -1.814 local terms energy: -440.370273 where: bonds (distance) C4'-P energy: -77.503 bonds (distance) P-C4' energy: -76.087 flat angles C4'-P-C4' energy: -94.616 flat angles P-C4'-P energy: -61.876 tors. eta vs tors. theta energy: -130.289 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: 6 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1319.344648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.344648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.344648 (E_RNA) where: Base-Base interactions energy: -932.831 where: short stacking energy: -404.074 Base-Backbone interact. energy: 0.892 local terms energy: -387.405917 where: bonds (distance) C4'-P energy: -78.111 bonds (distance) P-C4' energy: -64.388 flat angles C4'-P-C4' energy: -81.353 flat angles P-C4'-P energy: -58.735 tors. eta vs tors. theta energy: -104.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1251.459654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.459654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.459654 (E_RNA) where: Base-Base interactions energy: -890.983 where: short stacking energy: -379.804 Base-Backbone interact. energy: 5.120 local terms energy: -365.596239 where: bonds (distance) C4'-P energy: -65.017 bonds (distance) P-C4' energy: -64.728 flat angles C4'-P-C4' energy: -79.221 flat angles P-C4'-P energy: -51.783 tors. eta vs tors. theta energy: -104.848 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: 3 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1180.875036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.875036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.875036 (E_RNA) where: Base-Base interactions energy: -825.177 where: short stacking energy: -332.929 Base-Backbone interact. energy: -1.399 local terms energy: -354.299047 where: bonds (distance) C4'-P energy: -70.346 bonds (distance) P-C4' energy: -73.670 flat angles C4'-P-C4' energy: -81.048 flat angles P-C4'-P energy: -40.810 tors. eta vs tors. theta energy: -88.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1039.578560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.578560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.578560 (E_RNA) where: Base-Base interactions energy: -724.477 where: short stacking energy: -327.909 Base-Backbone interact. energy: 10.760 local terms energy: -325.861200 where: bonds (distance) C4'-P energy: -55.508 bonds (distance) P-C4' energy: -70.959 flat angles C4'-P-C4' energy: -75.427 flat angles P-C4'-P energy: -47.697 tors. eta vs tors. theta energy: -76.270 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: 7, replica: 4 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1046.554834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.554834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.554834 (E_RNA) where: Base-Base interactions energy: -691.189 where: short stacking energy: -318.203 Base-Backbone interact. energy: -1.718 local terms energy: -353.647603 where: bonds (distance) C4'-P energy: -68.648 bonds (distance) P-C4' energy: -77.046 flat angles C4'-P-C4' energy: -76.515 flat angles P-C4'-P energy: -49.657 tors. eta vs tors. theta energy: -81.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -686.190978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.190978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.190978 (E_RNA) where: Base-Base interactions energy: -415.849 where: short stacking energy: -204.507 Base-Backbone interact. energy: 2.292 local terms energy: -272.633803 where: bonds (distance) C4'-P energy: -66.862 bonds (distance) P-C4' energy: -63.724 flat angles C4'-P-C4' energy: -62.937 flat angles P-C4'-P energy: -41.237 tors. eta vs tors. theta energy: -37.874 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: 449 Temperature: 1.300000 Total energy: -575.349295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.349295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.349295 (E_RNA) where: Base-Base interactions energy: -307.594 where: short stacking energy: -161.273 Base-Backbone interact. energy: -1.715 local terms energy: -266.040843 where: bonds (distance) C4'-P energy: -60.522 bonds (distance) P-C4' energy: -79.979 flat angles C4'-P-C4' energy: -70.747 flat angles P-C4'-P energy: -37.304 tors. eta vs tors. theta energy: -17.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -547.253936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.253936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.253936 (E_RNA) where: Base-Base interactions energy: -291.170 where: short stacking energy: -131.360 Base-Backbone interact. energy: 4.780 local terms energy: -260.863587 where: bonds (distance) C4'-P energy: -66.369 bonds (distance) P-C4' energy: -66.511 flat angles C4'-P-C4' energy: -64.871 flat angles P-C4'-P energy: -47.152 tors. eta vs tors. theta energy: -15.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1433.509651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.509651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.509651 (E_RNA) where: Base-Base interactions energy: -1012.594 where: short stacking energy: -432.202 Base-Backbone interact. energy: -1.894 local terms energy: -419.021973 where: bonds (distance) C4'-P energy: -73.777 bonds (distance) P-C4' energy: -69.897 flat angles C4'-P-C4' energy: -84.406 flat angles P-C4'-P energy: -66.939 tors. eta vs tors. theta energy: -124.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1422.758950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.758950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.758950 (E_RNA) where: Base-Base interactions energy: -980.668 where: short stacking energy: -423.845 Base-Backbone interact. energy: 2.920 local terms energy: -445.010996 where: bonds (distance) C4'-P energy: -78.786 bonds (distance) P-C4' energy: -86.498 flat angles C4'-P-C4' energy: -88.812 flat angles P-C4'-P energy: -62.840 tors. eta vs tors. theta energy: -128.076 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: 6 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1301.939051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.939051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.939051 (E_RNA) where: Base-Base interactions energy: -896.467 where: short stacking energy: -383.276 Base-Backbone interact. energy: 0.482 local terms energy: -405.953982 where: bonds (distance) C4'-P energy: -71.680 bonds (distance) P-C4' energy: -69.550 flat angles C4'-P-C4' energy: -86.949 flat angles P-C4'-P energy: -62.180 tors. eta vs tors. theta energy: -115.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1296.147702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.147702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.147702 (E_RNA) where: Base-Base interactions energy: -913.569 where: short stacking energy: -380.586 Base-Backbone interact. energy: -2.691 local terms energy: -379.887172 where: bonds (distance) C4'-P energy: -67.196 bonds (distance) P-C4' energy: -74.669 flat angles C4'-P-C4' energy: -84.432 flat angles P-C4'-P energy: -48.130 tors. eta vs tors. theta energy: -105.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1186.858730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.858730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.858730 (E_RNA) where: Base-Base interactions energy: -827.673 where: short stacking energy: -348.958 Base-Backbone interact. energy: -0.869 local terms energy: -358.317066 where: bonds (distance) C4'-P energy: -64.954 bonds (distance) P-C4' energy: -67.902 flat angles C4'-P-C4' energy: -85.921 flat angles P-C4'-P energy: -44.000 tors. eta vs tors. theta energy: -95.540 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: 8 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1040.507787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.507787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.507787 (E_RNA) where: Base-Base interactions energy: -694.702 where: short stacking energy: -307.551 Base-Backbone interact. energy: -2.417 local terms energy: -343.389084 where: bonds (distance) C4'-P energy: -55.580 bonds (distance) P-C4' energy: -81.903 flat angles C4'-P-C4' energy: -77.268 flat angles P-C4'-P energy: -49.687 tors. eta vs tors. theta energy: -78.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1055.143052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.143052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.143052 (E_RNA) where: Base-Base interactions energy: -728.462 where: short stacking energy: -325.077 Base-Backbone interact. energy: -3.780 local terms energy: -322.901792 where: bonds (distance) C4'-P energy: -67.894 bonds (distance) P-C4' energy: -63.448 flat angles C4'-P-C4' energy: -78.711 flat angles P-C4'-P energy: -37.613 tors. eta vs tors. theta energy: -75.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -696.509984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.509984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.509984 (E_RNA) where: Base-Base interactions energy: -419.017 where: short stacking energy: -213.981 Base-Backbone interact. energy: 0.598 local terms energy: -278.090167 where: bonds (distance) C4'-P energy: -61.929 bonds (distance) P-C4' energy: -70.360 flat angles C4'-P-C4' energy: -74.371 flat angles P-C4'-P energy: -35.036 tors. eta vs tors. theta energy: -36.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -597.944946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.944946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.944946 (E_RNA) where: Base-Base interactions energy: -356.021 where: short stacking energy: -172.720 Base-Backbone interact. energy: -0.691 local terms energy: -241.232949 where: bonds (distance) C4'-P energy: -50.158 bonds (distance) P-C4' energy: -65.297 flat angles C4'-P-C4' energy: -62.423 flat angles P-C4'-P energy: -34.981 tors. eta vs tors. theta energy: -28.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -534.862669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.862669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.862669 (E_RNA) where: Base-Base interactions energy: -327.965 where: short stacking energy: -163.498 Base-Backbone interact. energy: -0.020 local terms energy: -206.877384 where: bonds (distance) C4'-P energy: -42.980 bonds (distance) P-C4' energy: -70.323 flat angles C4'-P-C4' energy: -52.934 flat angles P-C4'-P energy: -33.416 tors. eta vs tors. theta energy: -7.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1442.660694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.660694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.660694 (E_RNA) where: Base-Base interactions energy: -997.806 where: short stacking energy: -431.199 Base-Backbone interact. energy: 0.160 local terms energy: -445.014320 where: bonds (distance) C4'-P energy: -78.008 bonds (distance) P-C4' energy: -71.859 flat angles C4'-P-C4' energy: -95.887 flat angles P-C4'-P energy: -73.694 tors. eta vs tors. theta energy: -125.567 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: 9 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1411.501788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.501788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.501788 (E_RNA) where: Base-Base interactions energy: -978.647 where: short stacking energy: -439.644 Base-Backbone interact. energy: -1.708 local terms energy: -431.146998 where: bonds (distance) C4'-P energy: -71.279 bonds (distance) P-C4' energy: -83.435 flat angles C4'-P-C4' energy: -88.092 flat angles P-C4'-P energy: -56.478 tors. eta vs tors. theta energy: -131.863 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: 6 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1276.672922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.672922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.672922 (E_RNA) where: Base-Base interactions energy: -864.525 where: short stacking energy: -378.137 Base-Backbone interact. energy: 0.636 local terms energy: -412.783042 where: bonds (distance) C4'-P energy: -73.585 bonds (distance) P-C4' energy: -84.610 flat angles C4'-P-C4' energy: -91.544 flat angles P-C4'-P energy: -57.713 tors. eta vs tors. theta energy: -105.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1282.548175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.548175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.548175 (E_RNA) where: Base-Base interactions energy: -883.693 where: short stacking energy: -366.952 Base-Backbone interact. energy: -1.488 local terms energy: -397.367784 where: bonds (distance) C4'-P energy: -77.437 bonds (distance) P-C4' energy: -83.135 flat angles C4'-P-C4' energy: -78.190 flat angles P-C4'-P energy: -54.661 tors. eta vs tors. theta energy: -103.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1154.272485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.272485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.272485 (E_RNA) where: Base-Base interactions energy: -799.758 where: short stacking energy: -311.885 Base-Backbone interact. energy: -0.930 local terms energy: -353.584169 where: bonds (distance) C4'-P energy: -73.013 bonds (distance) P-C4' energy: -70.739 flat angles C4'-P-C4' energy: -69.745 flat angles P-C4'-P energy: -54.703 tors. eta vs tors. theta energy: -85.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1038.729168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.729168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.729168 (E_RNA) where: Base-Base interactions energy: -690.327 where: short stacking energy: -312.050 Base-Backbone interact. energy: -1.151 local terms energy: -347.250734 where: bonds (distance) C4'-P energy: -66.353 bonds (distance) P-C4' energy: -62.846 flat angles C4'-P-C4' energy: -79.729 flat angles P-C4'-P energy: -52.457 tors. eta vs tors. theta energy: -85.866 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: 8 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -990.228573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.228573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.228573 (E_RNA) where: Base-Base interactions energy: -661.582 where: short stacking energy: -300.577 Base-Backbone interact. energy: -2.044 local terms energy: -326.602503 where: bonds (distance) C4'-P energy: -73.597 bonds (distance) P-C4' energy: -68.018 flat angles C4'-P-C4' energy: -60.528 flat angles P-C4'-P energy: -53.655 tors. eta vs tors. theta energy: -70.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -655.377989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.377989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.377989 (E_RNA) where: Base-Base interactions energy: -400.981 where: short stacking energy: -183.526 Base-Backbone interact. energy: 3.755 local terms energy: -258.151874 where: bonds (distance) C4'-P energy: -60.004 bonds (distance) P-C4' energy: -57.735 flat angles C4'-P-C4' energy: -78.074 flat angles P-C4'-P energy: -32.695 tors. eta vs tors. theta energy: -29.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -675.638978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.638978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.638978 (E_RNA) where: Base-Base interactions energy: -406.528 where: short stacking energy: -200.354 Base-Backbone interact. energy: 0.635 local terms energy: -269.745999 where: bonds (distance) C4'-P energy: -70.787 bonds (distance) P-C4' energy: -57.652 flat angles C4'-P-C4' energy: -64.135 flat angles P-C4'-P energy: -49.958 tors. eta vs tors. theta energy: -27.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -536.371957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.371957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.371957 (E_RNA) where: Base-Base interactions energy: -308.894 where: short stacking energy: -161.348 Base-Backbone interact. energy: -0.341 local terms energy: -227.136604 where: bonds (distance) C4'-P energy: -61.191 bonds (distance) P-C4' energy: -60.546 flat angles C4'-P-C4' energy: -61.070 flat angles P-C4'-P energy: -32.024 tors. eta vs tors. theta energy: -12.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1428.812980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.812980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.812980 (E_RNA) where: Base-Base interactions energy: -999.619 where: short stacking energy: -427.497 Base-Backbone interact. energy: 2.822 local terms energy: -432.016221 where: bonds (distance) C4'-P energy: -74.567 bonds (distance) P-C4' energy: -77.706 flat angles C4'-P-C4' energy: -89.789 flat angles P-C4'-P energy: -66.823 tors. eta vs tors. theta energy: -123.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1404.787484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.787484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.787484 (E_RNA) where: Base-Base interactions energy: -964.723 where: short stacking energy: -412.345 Base-Backbone interact. energy: -3.676 local terms energy: -436.388805 where: bonds (distance) C4'-P energy: -77.340 bonds (distance) P-C4' energy: -76.741 flat angles C4'-P-C4' energy: -90.032 flat angles P-C4'-P energy: -62.835 tors. eta vs tors. theta energy: -129.442 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: 6 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1292.726089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.726089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.726089 (E_RNA) where: Base-Base interactions energy: -892.874 where: short stacking energy: -378.371 Base-Backbone interact. energy: -2.904 local terms energy: -396.947762 where: bonds (distance) C4'-P energy: -77.586 bonds (distance) P-C4' energy: -73.881 flat angles C4'-P-C4' energy: -90.981 flat angles P-C4'-P energy: -50.445 tors. eta vs tors. theta energy: -104.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1306.220654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.220654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.220654 (E_RNA) where: Base-Base interactions energy: -887.825 where: short stacking energy: -395.951 Base-Backbone interact. energy: -0.760 local terms energy: -417.635744 where: bonds (distance) C4'-P energy: -78.205 bonds (distance) P-C4' energy: -79.063 flat angles C4'-P-C4' energy: -82.619 flat angles P-C4'-P energy: -62.378 tors. eta vs tors. theta energy: -115.370 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: 5, replica: 3 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1181.307571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.307571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.307571 (E_RNA) where: Base-Base interactions energy: -834.653 where: short stacking energy: -325.357 Base-Backbone interact. energy: -2.785 local terms energy: -343.869784 where: bonds (distance) C4'-P energy: -58.486 bonds (distance) P-C4' energy: -73.739 flat angles C4'-P-C4' energy: -76.170 flat angles P-C4'-P energy: -45.886 tors. eta vs tors. theta energy: -89.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1044.228085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.228085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.228085 (E_RNA) where: Base-Base interactions energy: -705.413 where: short stacking energy: -290.848 Base-Backbone interact. energy: 2.099 local terms energy: -340.913858 where: bonds (distance) C4'-P energy: -72.554 bonds (distance) P-C4' energy: -62.401 flat angles C4'-P-C4' energy: -80.289 flat angles P-C4'-P energy: -50.093 tors. eta vs tors. theta energy: -75.577 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: 8 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -950.036566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.036566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.036566 (E_RNA) where: Base-Base interactions energy: -619.132 where: short stacking energy: -269.300 Base-Backbone interact. energy: -4.199 local terms energy: -326.705056 where: bonds (distance) C4'-P energy: -72.909 bonds (distance) P-C4' energy: -80.190 flat angles C4'-P-C4' energy: -72.358 flat angles P-C4'-P energy: -31.453 tors. eta vs tors. theta energy: -69.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -702.881357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.881357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.881357 (E_RNA) where: Base-Base interactions energy: -439.522 where: short stacking energy: -208.136 Base-Backbone interact. energy: -2.731 local terms energy: -260.628351 where: bonds (distance) C4'-P energy: -68.640 bonds (distance) P-C4' energy: -55.807 flat angles C4'-P-C4' energy: -64.628 flat angles P-C4'-P energy: -44.656 tors. eta vs tors. theta energy: -26.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -601.704788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.704788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.704788 (E_RNA) where: Base-Base interactions energy: -347.356 where: short stacking energy: -183.245 Base-Backbone interact. energy: 0.850 local terms energy: -255.198177 where: bonds (distance) C4'-P energy: -68.760 bonds (distance) P-C4' energy: -63.460 flat angles C4'-P-C4' energy: -52.808 flat angles P-C4'-P energy: -39.569 tors. eta vs tors. theta energy: -30.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -510.586875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.586875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.586875 (E_RNA) where: Base-Base interactions energy: -264.246 where: short stacking energy: -143.416 Base-Backbone interact. energy: 0.121 local terms energy: -246.462302 where: bonds (distance) C4'-P energy: -77.802 bonds (distance) P-C4' energy: -68.577 flat angles C4'-P-C4' energy: -61.267 flat angles P-C4'-P energy: -29.267 tors. eta vs tors. theta energy: -9.550 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: 453 Temperature: 0.900000 Total energy: -1421.279833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.279833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.279833 (E_RNA) where: Base-Base interactions energy: -985.064 where: short stacking energy: -410.716 Base-Backbone interact. energy: -0.343 local terms energy: -435.873363 where: bonds (distance) C4'-P energy: -74.891 bonds (distance) P-C4' energy: -82.329 flat angles C4'-P-C4' energy: -88.965 flat angles P-C4'-P energy: -65.890 tors. eta vs tors. theta energy: -123.799 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: 2, replica: 9 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1400.694033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.694033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.694033 (E_RNA) where: Base-Base interactions energy: -977.840 where: short stacking energy: -407.537 Base-Backbone interact. energy: 0.605 local terms energy: -423.459123 where: bonds (distance) C4'-P energy: -68.347 bonds (distance) P-C4' energy: -81.995 flat angles C4'-P-C4' energy: -83.376 flat angles P-C4'-P energy: -71.774 tors. eta vs tors. theta energy: -117.967 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: 6 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1278.970954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.970954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.970954 (E_RNA) where: Base-Base interactions energy: -885.971 where: short stacking energy: -372.949 Base-Backbone interact. energy: -1.788 local terms energy: -391.212765 where: bonds (distance) C4'-P energy: -74.270 bonds (distance) P-C4' energy: -72.439 flat angles C4'-P-C4' energy: -81.540 flat angles P-C4'-P energy: -51.921 tors. eta vs tors. theta energy: -111.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1297.064685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.064685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.064685 (E_RNA) where: Base-Base interactions energy: -894.855 where: short stacking energy: -401.316 Base-Backbone interact. energy: -3.460 local terms energy: -398.749614 where: bonds (distance) C4'-P energy: -67.079 bonds (distance) P-C4' energy: -75.068 flat angles C4'-P-C4' energy: -82.352 flat angles P-C4'-P energy: -59.742 tors. eta vs tors. theta energy: -114.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1176.048421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.048421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.048421 (E_RNA) where: Base-Base interactions energy: -798.184 where: short stacking energy: -344.656 Base-Backbone interact. energy: -3.158 local terms energy: -374.706165 where: bonds (distance) C4'-P energy: -79.081 bonds (distance) P-C4' energy: -74.395 flat angles C4'-P-C4' energy: -85.165 flat angles P-C4'-P energy: -48.923 tors. eta vs tors. theta energy: -87.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1048.904419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.904419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.904419 (E_RNA) where: Base-Base interactions energy: -695.670 where: short stacking energy: -307.640 Base-Backbone interact. energy: -2.212 local terms energy: -351.022802 where: bonds (distance) C4'-P energy: -77.108 bonds (distance) P-C4' energy: -74.789 flat angles C4'-P-C4' energy: -71.723 flat angles P-C4'-P energy: -48.413 tors. eta vs tors. theta energy: -78.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1012.011656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.011656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.011656 (E_RNA) where: Base-Base interactions energy: -700.378 where: short stacking energy: -315.276 Base-Backbone interact. energy: -0.714 local terms energy: -310.919100 where: bonds (distance) C4'-P energy: -51.188 bonds (distance) P-C4' energy: -66.079 flat angles C4'-P-C4' energy: -73.829 flat angles P-C4'-P energy: -39.313 tors. eta vs tors. theta energy: -80.510 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: 2 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -685.798528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.798528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.798528 (E_RNA) where: Base-Base interactions energy: -398.978 where: short stacking energy: -198.297 Base-Backbone interact. energy: 0.294 local terms energy: -287.114951 where: bonds (distance) C4'-P energy: -65.128 bonds (distance) P-C4' energy: -70.500 flat angles C4'-P-C4' energy: -69.374 flat angles P-C4'-P energy: -46.534 tors. eta vs tors. theta energy: -35.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -610.047066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.047066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.047066 (E_RNA) where: Base-Base interactions energy: -365.501 where: short stacking energy: -182.766 Base-Backbone interact. energy: 4.183 local terms energy: -248.729514 where: bonds (distance) C4'-P energy: -71.589 bonds (distance) P-C4' energy: -71.454 flat angles C4'-P-C4' energy: -53.708 flat angles P-C4'-P energy: -31.114 tors. eta vs tors. theta energy: -20.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -505.930475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.930475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.930475 (E_RNA) where: Base-Base interactions energy: -293.732 where: short stacking energy: -126.877 Base-Backbone interact. energy: 0.146 local terms energy: -212.344114 where: bonds (distance) C4'-P energy: -56.727 bonds (distance) P-C4' energy: -56.289 flat angles C4'-P-C4' energy: -55.763 flat angles P-C4'-P energy: -33.811 tors. eta vs tors. theta energy: -9.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1427.184564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.184564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.184564 (E_RNA) where: Base-Base interactions energy: -992.967 where: short stacking energy: -423.819 Base-Backbone interact. energy: 0.174 local terms energy: -434.391663 where: bonds (distance) C4'-P energy: -73.293 bonds (distance) P-C4' energy: -72.259 flat angles C4'-P-C4' energy: -96.972 flat angles P-C4'-P energy: -63.969 tors. eta vs tors. theta energy: -127.898 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: 2, replica: 10 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1392.726796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.726796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.726796 (E_RNA) where: Base-Base interactions energy: -965.713 where: short stacking energy: -403.162 Base-Backbone interact. energy: -0.535 local terms energy: -426.478818 where: bonds (distance) C4'-P energy: -72.342 bonds (distance) P-C4' energy: -82.451 flat angles C4'-P-C4' energy: -92.619 flat angles P-C4'-P energy: -59.975 tors. eta vs tors. theta energy: -119.092 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: 6 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1286.434610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.434610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.434610 (E_RNA) where: Base-Base interactions energy: -870.268 where: short stacking energy: -406.725 Base-Backbone interact. energy: -0.256 local terms energy: -415.911020 where: bonds (distance) C4'-P energy: -71.922 bonds (distance) P-C4' energy: -70.597 flat angles C4'-P-C4' energy: -91.402 flat angles P-C4'-P energy: -56.658 tors. eta vs tors. theta energy: -125.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1322.097806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.097806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.097806 (E_RNA) where: Base-Base interactions energy: -931.430 where: short stacking energy: -382.838 Base-Backbone interact. energy: -2.796 local terms energy: -387.871603 where: bonds (distance) C4'-P energy: -68.153 bonds (distance) P-C4' energy: -70.498 flat angles C4'-P-C4' energy: -81.744 flat angles P-C4'-P energy: -52.865 tors. eta vs tors. theta energy: -114.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1160.971688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.971688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.971688 (E_RNA) where: Base-Base interactions energy: -807.643 where: short stacking energy: -326.192 Base-Backbone interact. energy: -1.079 local terms energy: -352.249277 where: bonds (distance) C4'-P energy: -65.136 bonds (distance) P-C4' energy: -70.390 flat angles C4'-P-C4' energy: -81.910 flat angles P-C4'-P energy: -40.569 tors. eta vs tors. theta energy: -94.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1073.026533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.026533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.026533 (E_RNA) where: Base-Base interactions energy: -738.879 where: short stacking energy: -322.252 Base-Backbone interact. energy: 0.988 local terms energy: -335.135625 where: bonds (distance) C4'-P energy: -63.266 bonds (distance) P-C4' energy: -60.848 flat angles C4'-P-C4' energy: -86.003 flat angles P-C4'-P energy: -45.361 tors. eta vs tors. theta energy: -79.657 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: 8 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1018.504120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.504120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.504120 (E_RNA) where: Base-Base interactions energy: -668.606 where: short stacking energy: -294.776 Base-Backbone interact. energy: 1.329 local terms energy: -351.226777 where: bonds (distance) C4'-P energy: -78.090 bonds (distance) P-C4' energy: -72.539 flat angles C4'-P-C4' energy: -81.516 flat angles P-C4'-P energy: -49.795 tors. eta vs tors. theta energy: -69.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -666.153877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.153877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.153877 (E_RNA) where: Base-Base interactions energy: -409.555 where: short stacking energy: -202.300 Base-Backbone interact. energy: -0.020 local terms energy: -256.578841 where: bonds (distance) C4'-P energy: -56.506 bonds (distance) P-C4' energy: -64.657 flat angles C4'-P-C4' energy: -78.115 flat angles P-C4'-P energy: -38.105 tors. eta vs tors. theta energy: -19.196 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: 9, replica: 7 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -560.055818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.055818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.055818 (E_RNA) where: Base-Base interactions energy: -339.559 where: short stacking energy: -176.419 Base-Backbone interact. energy: 5.398 local terms energy: -225.894825 where: bonds (distance) C4'-P energy: -67.879 bonds (distance) P-C4' energy: -53.086 flat angles C4'-P-C4' energy: -50.431 flat angles P-C4'-P energy: -32.796 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: 10, replica: 1 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -512.174861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.174861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.174861 (E_RNA) where: Base-Base interactions energy: -282.121 where: short stacking energy: -139.220 Base-Backbone interact. energy: -0.270 local terms energy: -229.783449 where: bonds (distance) C4'-P energy: -61.850 bonds (distance) P-C4' energy: -70.480 flat angles C4'-P-C4' energy: -45.546 flat angles P-C4'-P energy: -46.687 tors. eta vs tors. theta energy: -5.220 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: 9 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1425.880915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.880915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.880915 (E_RNA) where: Base-Base interactions energy: -982.996 where: short stacking energy: -436.404 Base-Backbone interact. energy: -1.467 local terms energy: -441.418040 where: bonds (distance) C4'-P energy: -71.035 bonds (distance) P-C4' energy: -83.687 flat angles C4'-P-C4' energy: -94.385 flat angles P-C4'-P energy: -62.705 tors. eta vs tors. theta energy: -129.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1381.234845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.234845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.234845 (E_RNA) where: Base-Base interactions energy: -960.630 where: short stacking energy: -404.686 Base-Backbone interact. energy: -0.357 local terms energy: -420.247859 where: bonds (distance) C4'-P energy: -77.636 bonds (distance) P-C4' energy: -78.263 flat angles C4'-P-C4' energy: -93.300 flat angles P-C4'-P energy: -60.302 tors. eta vs tors. theta energy: -110.748 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: 6 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1307.205957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.205957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.205957 (E_RNA) where: Base-Base interactions energy: -900.610 where: short stacking energy: -398.135 Base-Backbone interact. energy: 0.162 local terms energy: -406.758159 where: bonds (distance) C4'-P energy: -74.726 bonds (distance) P-C4' energy: -75.666 flat angles C4'-P-C4' energy: -79.468 flat angles P-C4'-P energy: -65.165 tors. eta vs tors. theta energy: -111.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1313.771055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.771055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.771055 (E_RNA) where: Base-Base interactions energy: -892.350 where: short stacking energy: -375.859 Base-Backbone interact. energy: -0.349 local terms energy: -421.072135 where: bonds (distance) C4'-P energy: -67.294 bonds (distance) P-C4' energy: -84.271 flat angles C4'-P-C4' energy: -85.688 flat angles P-C4'-P energy: -73.782 tors. eta vs tors. theta energy: -110.036 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: 3 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1187.151767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.151767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.151767 (E_RNA) where: Base-Base interactions energy: -830.660 where: short stacking energy: -333.356 Base-Backbone interact. energy: -2.865 local terms energy: -353.627498 where: bonds (distance) C4'-P energy: -69.392 bonds (distance) P-C4' energy: -67.928 flat angles C4'-P-C4' energy: -72.838 flat angles P-C4'-P energy: -58.510 tors. eta vs tors. theta energy: -84.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1056.032335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.032335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.032335 (E_RNA) where: Base-Base interactions energy: -713.728 where: short stacking energy: -304.716 Base-Backbone interact. energy: -0.811 local terms energy: -341.492842 where: bonds (distance) C4'-P energy: -66.611 bonds (distance) P-C4' energy: -80.372 flat angles C4'-P-C4' energy: -74.777 flat angles P-C4'-P energy: -43.596 tors. eta vs tors. theta energy: -76.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1031.022416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.022416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.022416 (E_RNA) where: Base-Base interactions energy: -717.070 where: short stacking energy: -310.294 Base-Backbone interact. energy: -2.689 local terms energy: -311.264163 where: bonds (distance) C4'-P energy: -61.724 bonds (distance) P-C4' energy: -67.092 flat angles C4'-P-C4' energy: -68.479 flat angles P-C4'-P energy: -45.056 tors. eta vs tors. theta energy: -68.913 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: 2 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -657.134379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.134379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.134379 (E_RNA) where: Base-Base interactions energy: -399.259 where: short stacking energy: -195.888 Base-Backbone interact. energy: 0.744 local terms energy: -258.619382 where: bonds (distance) C4'-P energy: -59.845 bonds (distance) P-C4' energy: -69.015 flat angles C4'-P-C4' energy: -65.139 flat angles P-C4'-P energy: -33.788 tors. eta vs tors. theta energy: -30.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -588.741549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.741549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.741549 (E_RNA) where: Base-Base interactions energy: -349.647 where: short stacking energy: -203.453 Base-Backbone interact. energy: -1.482 local terms energy: -237.611783 where: bonds (distance) C4'-P energy: -32.742 bonds (distance) P-C4' energy: -68.745 flat angles C4'-P-C4' energy: -59.689 flat angles P-C4'-P energy: -41.853 tors. eta vs tors. theta energy: -34.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -528.596470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.596470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.596470 (E_RNA) where: Base-Base interactions energy: -305.052 where: short stacking energy: -158.738 Base-Backbone interact. energy: 1.684 local terms energy: -225.228558 where: bonds (distance) C4'-P energy: -61.824 bonds (distance) P-C4' energy: -61.853 flat angles C4'-P-C4' energy: -70.339 flat angles P-C4'-P energy: -26.724 tors. eta vs tors. theta energy: -4.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1431.365650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.365650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.365650 (E_RNA) where: Base-Base interactions energy: -997.881 where: short stacking energy: -429.509 Base-Backbone interact. energy: -0.022 local terms energy: -433.462579 where: bonds (distance) C4'-P energy: -79.298 bonds (distance) P-C4' energy: -60.644 flat angles C4'-P-C4' energy: -88.197 flat angles P-C4'-P energy: -73.608 tors. eta vs tors. theta energy: -131.716 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: 10 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1398.305500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.305500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.305500 (E_RNA) where: Base-Base interactions energy: -970.359 where: short stacking energy: -412.004 Base-Backbone interact. energy: 0.976 local terms energy: -428.922168 where: bonds (distance) C4'-P energy: -83.328 bonds (distance) P-C4' energy: -77.681 flat angles C4'-P-C4' energy: -92.366 flat angles P-C4'-P energy: -51.317 tors. eta vs tors. theta energy: -124.230 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: 6 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1293.906010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.906010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.906010 (E_RNA) where: Base-Base interactions energy: -887.895 where: short stacking energy: -383.854 Base-Backbone interact. energy: -2.918 local terms energy: -403.092662 where: bonds (distance) C4'-P energy: -67.840 bonds (distance) P-C4' energy: -67.769 flat angles C4'-P-C4' energy: -89.060 flat angles P-C4'-P energy: -62.958 tors. eta vs tors. theta energy: -115.465 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: 5 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1264.707607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.707607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.707607 (E_RNA) where: Base-Base interactions energy: -862.018 where: short stacking energy: -348.823 Base-Backbone interact. energy: -2.581 local terms energy: -400.109290 where: bonds (distance) C4'-P energy: -79.189 bonds (distance) P-C4' energy: -80.283 flat angles C4'-P-C4' energy: -81.414 flat angles P-C4'-P energy: -53.756 tors. eta vs tors. theta energy: -105.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1166.532220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.532220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.532220 (E_RNA) where: Base-Base interactions energy: -809.668 where: short stacking energy: -340.479 Base-Backbone interact. energy: -0.813 local terms energy: -356.050597 where: bonds (distance) C4'-P energy: -63.980 bonds (distance) P-C4' energy: -71.084 flat angles C4'-P-C4' energy: -70.423 flat angles P-C4'-P energy: -55.981 tors. eta vs tors. theta energy: -94.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1089.552125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.552125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.552125 (E_RNA) where: Base-Base interactions energy: -747.203 where: short stacking energy: -336.893 Base-Backbone interact. energy: 0.022 local terms energy: -342.371710 where: bonds (distance) C4'-P energy: -61.381 bonds (distance) P-C4' energy: -76.144 flat angles C4'-P-C4' energy: -79.635 flat angles P-C4'-P energy: -34.628 tors. eta vs tors. theta energy: -90.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1064.858391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.858391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.858391 (E_RNA) where: Base-Base interactions energy: -740.470 where: short stacking energy: -312.478 Base-Backbone interact. energy: -3.159 local terms energy: -321.230002 where: bonds (distance) C4'-P energy: -64.454 bonds (distance) P-C4' energy: -75.134 flat angles C4'-P-C4' energy: -65.150 flat angles P-C4'-P energy: -36.426 tors. eta vs tors. theta energy: -80.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -684.659042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.659042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.659042 (E_RNA) where: Base-Base interactions energy: -400.610 where: short stacking energy: -191.113 Base-Backbone interact. energy: -0.294 local terms energy: -283.754264 where: bonds (distance) C4'-P energy: -67.149 bonds (distance) P-C4' energy: -65.334 flat angles C4'-P-C4' energy: -73.555 flat angles P-C4'-P energy: -48.533 tors. eta vs tors. theta energy: -29.183 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: 1 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -615.430008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.430008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.430008 (E_RNA) where: Base-Base interactions energy: -347.826 where: short stacking energy: -167.334 Base-Backbone interact. energy: -1.066 local terms energy: -266.538538 where: bonds (distance) C4'-P energy: -64.697 bonds (distance) P-C4' energy: -70.229 flat angles C4'-P-C4' energy: -68.404 flat angles P-C4'-P energy: -42.074 tors. eta vs tors. theta energy: -21.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -528.527493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.527493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.527493 (E_RNA) where: Base-Base interactions energy: -281.629 where: short stacking energy: -154.690 Base-Backbone interact. energy: -0.270 local terms energy: -246.628830 where: bonds (distance) C4'-P energy: -66.769 bonds (distance) P-C4' energy: -59.802 flat angles C4'-P-C4' energy: -70.044 flat angles P-C4'-P energy: -43.222 tors. eta vs tors. theta energy: -6.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1445.727781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.727781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.727781 (E_RNA) where: Base-Base interactions energy: -1015.376 where: short stacking energy: -449.986 Base-Backbone interact. energy: -1.137 local terms energy: -429.214540 where: bonds (distance) C4'-P energy: -66.443 bonds (distance) P-C4' energy: -76.189 flat angles C4'-P-C4' energy: -86.867 flat angles P-C4'-P energy: -64.875 tors. eta vs tors. theta energy: -134.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1396.794009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.794009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.794009 (E_RNA) where: Base-Base interactions energy: -978.411 where: short stacking energy: -419.862 Base-Backbone interact. energy: -1.865 local terms energy: -416.518362 where: bonds (distance) C4'-P energy: -68.167 bonds (distance) P-C4' energy: -72.843 flat angles C4'-P-C4' energy: -86.815 flat angles P-C4'-P energy: -64.674 tors. eta vs tors. theta energy: -124.021 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: 6 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1306.999734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.999734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.999734 (E_RNA) where: Base-Base interactions energy: -897.425 where: short stacking energy: -388.642 Base-Backbone interact. energy: 0.017 local terms energy: -409.592126 where: bonds (distance) C4'-P energy: -76.931 bonds (distance) P-C4' energy: -73.095 flat angles C4'-P-C4' energy: -88.371 flat angles P-C4'-P energy: -64.085 tors. eta vs tors. theta energy: -107.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1281.625345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.625345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.625345 (E_RNA) where: Base-Base interactions energy: -885.066 where: short stacking energy: -384.880 Base-Backbone interact. energy: -0.996 local terms energy: -395.562702 where: bonds (distance) C4'-P energy: -78.839 bonds (distance) P-C4' energy: -75.654 flat angles C4'-P-C4' energy: -85.956 flat angles P-C4'-P energy: -51.385 tors. eta vs tors. theta energy: -103.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1180.013359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.013359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.013359 (E_RNA) where: Base-Base interactions energy: -815.362 where: short stacking energy: -357.736 Base-Backbone interact. energy: -0.925 local terms energy: -363.727207 where: bonds (distance) C4'-P energy: -69.040 bonds (distance) P-C4' energy: -74.978 flat angles C4'-P-C4' energy: -72.327 flat angles P-C4'-P energy: -44.018 tors. eta vs tors. theta energy: -103.364 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: 8 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1099.831321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.831321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.831321 (E_RNA) where: Base-Base interactions energy: -776.129 where: short stacking energy: -323.618 Base-Backbone interact. energy: -1.320 local terms energy: -322.382215 where: bonds (distance) C4'-P energy: -57.490 bonds (distance) P-C4' energy: -66.514 flat angles C4'-P-C4' energy: -71.685 flat angles P-C4'-P energy: -44.369 tors. eta vs tors. theta energy: -82.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1051.866342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.866342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.866342 (E_RNA) where: Base-Base interactions energy: -721.935 where: short stacking energy: -324.920 Base-Backbone interact. energy: -1.886 local terms energy: -328.045091 where: bonds (distance) C4'-P energy: -68.190 bonds (distance) P-C4' energy: -57.673 flat angles C4'-P-C4' energy: -71.485 flat angles P-C4'-P energy: -51.114 tors. eta vs tors. theta energy: -79.583 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: 2 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -633.541259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.541259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.541259 (E_RNA) where: Base-Base interactions energy: -374.935 where: short stacking energy: -178.122 Base-Backbone interact. energy: -0.533 local terms energy: -258.073553 where: bonds (distance) C4'-P energy: -67.233 bonds (distance) P-C4' energy: -73.777 flat angles C4'-P-C4' energy: -59.958 flat angles P-C4'-P energy: -38.254 tors. eta vs tors. theta energy: -18.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -562.162236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.162236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.162236 (E_RNA) where: Base-Base interactions energy: -332.922 where: short stacking energy: -164.300 Base-Backbone interact. energy: -1.256 local terms energy: -227.984340 where: bonds (distance) C4'-P energy: -61.824 bonds (distance) P-C4' energy: -70.285 flat angles C4'-P-C4' energy: -44.367 flat angles P-C4'-P energy: -41.103 tors. eta vs tors. theta energy: -10.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -593.775548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.775548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.775548 (E_RNA) where: Base-Base interactions energy: -338.728 where: short stacking energy: -178.073 Base-Backbone interact. energy: -0.701 local terms energy: -254.347262 where: bonds (distance) C4'-P energy: -70.680 bonds (distance) P-C4' energy: -67.551 flat angles C4'-P-C4' energy: -48.434 flat angles P-C4'-P energy: -44.161 tors. eta vs tors. theta energy: -23.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1449.129091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.129091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.129091 (E_RNA) where: Base-Base interactions energy: -1002.504 where: short stacking energy: -433.889 Base-Backbone interact. energy: 0.792 local terms energy: -447.417418 where: bonds (distance) C4'-P energy: -77.301 bonds (distance) P-C4' energy: -89.874 flat angles C4'-P-C4' energy: -84.769 flat angles P-C4'-P energy: -66.735 tors. eta vs tors. theta energy: -128.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1411.651562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.651562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.651562 (E_RNA) where: Base-Base interactions energy: -983.921 where: short stacking energy: -422.670 Base-Backbone interact. energy: -2.340 local terms energy: -425.390363 where: bonds (distance) C4'-P energy: -73.845 bonds (distance) P-C4' energy: -79.711 flat angles C4'-P-C4' energy: -87.117 flat angles P-C4'-P energy: -64.158 tors. eta vs tors. theta energy: -120.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1326.543250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.543250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.543250 (E_RNA) where: Base-Base interactions energy: -929.821 where: short stacking energy: -379.084 Base-Backbone interact. energy: -3.769 local terms energy: -392.953566 where: bonds (distance) C4'-P energy: -70.802 bonds (distance) P-C4' energy: -69.853 flat angles C4'-P-C4' energy: -82.966 flat angles P-C4'-P energy: -63.401 tors. eta vs tors. theta energy: -105.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1288.761290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.761290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.761290 (E_RNA) where: Base-Base interactions energy: -878.203 where: short stacking energy: -387.607 Base-Backbone interact. energy: 0.622 local terms energy: -411.180416 where: bonds (distance) C4'-P energy: -94.553 bonds (distance) P-C4' energy: -52.844 flat angles C4'-P-C4' energy: -90.480 flat angles P-C4'-P energy: -57.338 tors. eta vs tors. theta energy: -115.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1149.286685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.286685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.286685 (E_RNA) where: Base-Base interactions energy: -773.944 where: short stacking energy: -355.570 Base-Backbone interact. energy: 0.398 local terms energy: -375.740845 where: bonds (distance) C4'-P energy: -76.828 bonds (distance) P-C4' energy: -72.834 flat angles C4'-P-C4' energy: -73.645 flat angles P-C4'-P energy: -57.662 tors. eta vs tors. theta energy: -94.773 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: 8 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1077.948799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.948799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.948799 (E_RNA) where: Base-Base interactions energy: -753.567 where: short stacking energy: -316.692 Base-Backbone interact. energy: 1.808 local terms energy: -326.189846 where: bonds (distance) C4'-P energy: -51.822 bonds (distance) P-C4' energy: -70.849 flat angles C4'-P-C4' energy: -85.832 flat angles P-C4'-P energy: -44.144 tors. eta vs tors. theta energy: -73.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1041.985839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.985839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.985839 (E_RNA) where: Base-Base interactions energy: -708.662 where: short stacking energy: -309.971 Base-Backbone interact. energy: -0.198 local terms energy: -333.125719 where: bonds (distance) C4'-P energy: -61.732 bonds (distance) P-C4' energy: -74.625 flat angles C4'-P-C4' energy: -76.366 flat angles P-C4'-P energy: -45.447 tors. eta vs tors. theta energy: -74.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -643.383543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.383543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.383543 (E_RNA) where: Base-Base interactions energy: -393.745 where: short stacking energy: -168.510 Base-Backbone interact. energy: -1.806 local terms energy: -247.832387 where: bonds (distance) C4'-P energy: -63.053 bonds (distance) P-C4' energy: -58.203 flat angles C4'-P-C4' energy: -66.689 flat angles P-C4'-P energy: -39.862 tors. eta vs tors. theta energy: -20.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -613.230066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.230066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.230066 (E_RNA) where: Base-Base interactions energy: -346.517 where: short stacking energy: -183.593 Base-Backbone interact. energy: 2.320 local terms energy: -269.033170 where: bonds (distance) C4'-P energy: -62.925 bonds (distance) P-C4' energy: -71.566 flat angles C4'-P-C4' energy: -73.813 flat angles P-C4'-P energy: -40.222 tors. eta vs tors. theta energy: -20.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -466.698718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.698718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.698718 (E_RNA) where: Base-Base interactions energy: -241.338 where: short stacking energy: -142.014 Base-Backbone interact. energy: 0.972 local terms energy: -226.332156 where: bonds (distance) C4'-P energy: -57.695 bonds (distance) P-C4' energy: -69.603 flat angles C4'-P-C4' energy: -60.671 flat angles P-C4'-P energy: -31.716 tors. eta vs tors. theta energy: -6.647 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: 9 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1441.653868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.653868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.653868 (E_RNA) where: Base-Base interactions energy: -1003.787 where: short stacking energy: -451.139 Base-Backbone interact. energy: 0.181 local terms energy: -438.047157 where: bonds (distance) C4'-P energy: -69.349 bonds (distance) P-C4' energy: -69.251 flat angles C4'-P-C4' energy: -96.661 flat angles P-C4'-P energy: -71.082 tors. eta vs tors. theta energy: -131.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1399.111027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.111027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.111027 (E_RNA) where: Base-Base interactions energy: -977.420 where: short stacking energy: -432.962 Base-Backbone interact. energy: -0.022 local terms energy: -421.669199 where: bonds (distance) C4'-P energy: -74.151 bonds (distance) P-C4' energy: -72.301 flat angles C4'-P-C4' energy: -94.056 flat angles P-C4'-P energy: -57.071 tors. eta vs tors. theta energy: -124.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1326.829437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.829437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.829437 (E_RNA) where: Base-Base interactions energy: -914.877 where: short stacking energy: -364.804 Base-Backbone interact. energy: -1.314 local terms energy: -410.639024 where: bonds (distance) C4'-P energy: -76.094 bonds (distance) P-C4' energy: -86.606 flat angles C4'-P-C4' energy: -84.575 flat angles P-C4'-P energy: -54.283 tors. eta vs tors. theta energy: -109.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1277.353781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.353781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.353781 (E_RNA) where: Base-Base interactions energy: -874.266 where: short stacking energy: -383.031 Base-Backbone interact. energy: -1.155 local terms energy: -401.932954 where: bonds (distance) C4'-P energy: -68.345 bonds (distance) P-C4' energy: -77.425 flat angles C4'-P-C4' energy: -83.939 flat angles P-C4'-P energy: -62.945 tors. eta vs tors. theta energy: -109.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1177.638546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.638546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.638546 (E_RNA) where: Base-Base interactions energy: -809.319 where: short stacking energy: -354.529 Base-Backbone interact. energy: -1.277 local terms energy: -367.041811 where: bonds (distance) C4'-P energy: -75.545 bonds (distance) P-C4' energy: -65.481 flat angles C4'-P-C4' energy: -71.996 flat angles P-C4'-P energy: -60.587 tors. eta vs tors. theta energy: -93.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1117.694014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.694014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.694014 (E_RNA) where: Base-Base interactions energy: -783.881 where: short stacking energy: -344.292 Base-Backbone interact. energy: -0.273 local terms energy: -333.539790 where: bonds (distance) C4'-P energy: -65.675 bonds (distance) P-C4' energy: -69.165 flat angles C4'-P-C4' energy: -71.093 flat angles P-C4'-P energy: -46.226 tors. eta vs tors. theta energy: -81.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1078.305565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.305565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.305565 (E_RNA) where: Base-Base interactions energy: -722.554 where: short stacking energy: -327.777 Base-Backbone interact. energy: 0.919 local terms energy: -356.670059 where: bonds (distance) C4'-P energy: -65.310 bonds (distance) P-C4' energy: -83.808 flat angles C4'-P-C4' energy: -74.932 flat angles P-C4'-P energy: -45.921 tors. eta vs tors. theta energy: -86.699 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: 2 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -617.901958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.901958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.901958 (E_RNA) where: Base-Base interactions energy: -361.529 where: short stacking energy: -207.333 Base-Backbone interact. energy: 0.244 local terms energy: -256.616600 where: bonds (distance) C4'-P energy: -69.510 bonds (distance) P-C4' energy: -67.034 flat angles C4'-P-C4' energy: -58.720 flat angles P-C4'-P energy: -36.122 tors. eta vs tors. theta energy: -25.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -591.365675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.365675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.365675 (E_RNA) where: Base-Base interactions energy: -341.437 where: short stacking energy: -192.092 Base-Backbone interact. energy: 0.517 local terms energy: -250.446268 where: bonds (distance) C4'-P energy: -62.928 bonds (distance) P-C4' energy: -55.124 flat angles C4'-P-C4' energy: -65.589 flat angles P-C4'-P energy: -30.116 tors. eta vs tors. theta energy: -36.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -477.395918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.395918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.395918 (E_RNA) where: Base-Base interactions energy: -272.656 where: short stacking energy: -141.821 Base-Backbone interact. energy: 0.141 local terms energy: -204.880998 where: bonds (distance) C4'-P energy: -55.571 bonds (distance) P-C4' energy: -64.672 flat angles C4'-P-C4' energy: -49.614 flat angles P-C4'-P energy: -28.804 tors. eta vs tors. theta energy: -6.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1450.177478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.177478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.177478 (E_RNA) where: Base-Base interactions energy: -987.965 where: short stacking energy: -430.416 Base-Backbone interact. energy: -0.101 local terms energy: -462.111530 where: bonds (distance) C4'-P energy: -90.691 bonds (distance) P-C4' energy: -92.456 flat angles C4'-P-C4' energy: -88.575 flat angles P-C4'-P energy: -63.366 tors. eta vs tors. theta energy: -127.023 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: 460 Temperature: 0.950000 Total energy: -1393.951315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.951315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.951315 (E_RNA) where: Base-Base interactions energy: -971.645 where: short stacking energy: -413.974 Base-Backbone interact. energy: -1.020 local terms energy: -421.286337 where: bonds (distance) C4'-P energy: -77.008 bonds (distance) P-C4' energy: -80.179 flat angles C4'-P-C4' energy: -88.655 flat angles P-C4'-P energy: -54.577 tors. eta vs tors. theta energy: -120.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1318.500594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.500594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.500594 (E_RNA) where: Base-Base interactions energy: -934.511 where: short stacking energy: -378.445 Base-Backbone interact. energy: -0.670 local terms energy: -383.320142 where: bonds (distance) C4'-P energy: -64.336 bonds (distance) P-C4' energy: -70.713 flat angles C4'-P-C4' energy: -85.976 flat angles P-C4'-P energy: -56.268 tors. eta vs tors. theta energy: -106.027 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: 460 Temperature: 1.050000 Total energy: -1252.643729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.643729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.643729 (E_RNA) where: Base-Base interactions energy: -848.297 where: short stacking energy: -388.432 Base-Backbone interact. energy: -0.219 local terms energy: -404.127840 where: bonds (distance) C4'-P energy: -67.136 bonds (distance) P-C4' energy: -78.103 flat angles C4'-P-C4' energy: -88.753 flat angles P-C4'-P energy: -61.043 tors. eta vs tors. theta energy: -109.093 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: 3 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1172.382142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.382142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.382142 (E_RNA) where: Base-Base interactions energy: -800.203 where: short stacking energy: -348.091 Base-Backbone interact. energy: -1.603 local terms energy: -370.576124 where: bonds (distance) C4'-P energy: -72.978 bonds (distance) P-C4' energy: -70.735 flat angles C4'-P-C4' energy: -78.850 flat angles P-C4'-P energy: -57.801 tors. eta vs tors. theta energy: -90.212 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: 8 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1109.588013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.588013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.588013 (E_RNA) where: Base-Base interactions energy: -743.695 where: short stacking energy: -321.689 Base-Backbone interact. energy: -2.666 local terms energy: -363.226819 where: bonds (distance) C4'-P energy: -63.068 bonds (distance) P-C4' energy: -74.582 flat angles C4'-P-C4' energy: -76.019 flat angles P-C4'-P energy: -52.366 tors. eta vs tors. theta energy: -97.191 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: 7, replica: 4 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1047.275339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.275339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.275339 (E_RNA) where: Base-Base interactions energy: -718.288 where: short stacking energy: -309.900 Base-Backbone interact. energy: 2.082 local terms energy: -331.069823 where: bonds (distance) C4'-P energy: -64.703 bonds (distance) P-C4' energy: -60.470 flat angles C4'-P-C4' energy: -82.452 flat angles P-C4'-P energy: -39.586 tors. eta vs tors. theta energy: -83.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -607.750228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.750228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.750228 (E_RNA) where: Base-Base interactions energy: -368.319 where: short stacking energy: -206.634 Base-Backbone interact. energy: 3.188 local terms energy: -242.619240 where: bonds (distance) C4'-P energy: -65.806 bonds (distance) P-C4' energy: -56.780 flat angles C4'-P-C4' energy: -62.463 flat angles P-C4'-P energy: -32.408 tors. eta vs tors. theta energy: -25.163 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: 460 Temperature: 1.300000 Total energy: -629.691974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.691974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.691974 (E_RNA) where: Base-Base interactions energy: -382.931 where: short stacking energy: -179.753 Base-Backbone interact. energy: -1.564 local terms energy: -245.196531 where: bonds (distance) C4'-P energy: -69.209 bonds (distance) P-C4' energy: -59.906 flat angles C4'-P-C4' energy: -53.277 flat angles P-C4'-P energy: -39.230 tors. eta vs tors. theta energy: -23.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -476.825784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.825784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.825784 (E_RNA) where: Base-Base interactions energy: -257.714 where: short stacking energy: -122.205 Base-Backbone interact. energy: -0.523 local terms energy: -218.588159 where: bonds (distance) C4'-P energy: -66.609 bonds (distance) P-C4' energy: -64.268 flat angles C4'-P-C4' energy: -51.750 flat angles P-C4'-P energy: -29.078 tors. eta vs tors. theta energy: -6.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1456.941678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.941678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.941678 (E_RNA) where: Base-Base interactions energy: -1012.048 where: short stacking energy: -443.261 Base-Backbone interact. energy: 2.889 local terms energy: -447.783105 where: bonds (distance) C4'-P energy: -73.773 bonds (distance) P-C4' energy: -74.153 flat angles C4'-P-C4' energy: -98.545 flat angles P-C4'-P energy: -68.218 tors. eta vs tors. theta energy: -133.094 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: 461 Temperature: 0.950000 Total energy: -1376.221509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.221509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.221509 (E_RNA) where: Base-Base interactions energy: -953.007 where: short stacking energy: -413.608 Base-Backbone interact. energy: -0.857 local terms energy: -422.357924 where: bonds (distance) C4'-P energy: -75.070 bonds (distance) P-C4' energy: -71.837 flat angles C4'-P-C4' energy: -91.411 flat angles P-C4'-P energy: -62.003 tors. eta vs tors. theta energy: -122.038 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: 5 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1319.767673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.767673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.767673 (E_RNA) where: Base-Base interactions energy: -894.412 where: short stacking energy: -394.376 Base-Backbone interact. energy: -2.983 local terms energy: -422.373166 where: bonds (distance) C4'-P energy: -83.655 bonds (distance) P-C4' energy: -71.629 flat angles C4'-P-C4' energy: -79.273 flat angles P-C4'-P energy: -65.523 tors. eta vs tors. theta energy: -122.292 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: 6 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1259.527013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.527013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.527013 (E_RNA) where: Base-Base interactions energy: -858.661 where: short stacking energy: -396.949 Base-Backbone interact. energy: 0.359 local terms energy: -401.224711 where: bonds (distance) C4'-P energy: -73.042 bonds (distance) P-C4' energy: -76.550 flat angles C4'-P-C4' energy: -84.801 flat angles P-C4'-P energy: -54.814 tors. eta vs tors. theta energy: -112.018 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: 3 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1161.172089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.172089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.172089 (E_RNA) where: Base-Base interactions energy: -794.802 where: short stacking energy: -332.595 Base-Backbone interact. energy: -0.924 local terms energy: -365.446570 where: bonds (distance) C4'-P energy: -65.989 bonds (distance) P-C4' energy: -75.821 flat angles C4'-P-C4' energy: -77.600 flat angles P-C4'-P energy: -50.184 tors. eta vs tors. theta energy: -95.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1129.211671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.211671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.211671 (E_RNA) where: Base-Base interactions energy: -770.048 where: short stacking energy: -328.346 Base-Backbone interact. energy: -2.251 local terms energy: -356.912953 where: bonds (distance) C4'-P energy: -56.486 bonds (distance) P-C4' energy: -78.106 flat angles C4'-P-C4' energy: -76.472 flat angles P-C4'-P energy: -54.325 tors. eta vs tors. theta energy: -91.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1029.807841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.807841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.807841 (E_RNA) where: Base-Base interactions energy: -701.234 where: short stacking energy: -310.216 Base-Backbone interact. energy: -1.668 local terms energy: -326.905350 where: bonds (distance) C4'-P energy: -56.102 bonds (distance) P-C4' energy: -75.553 flat angles C4'-P-C4' energy: -79.539 flat angles P-C4'-P energy: -43.486 tors. eta vs tors. theta energy: -72.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -602.295152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.295152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.295152 (E_RNA) where: Base-Base interactions energy: -346.565 where: short stacking energy: -168.833 Base-Backbone interact. energy: -0.554 local terms energy: -255.176086 where: bonds (distance) C4'-P energy: -70.657 bonds (distance) P-C4' energy: -51.661 flat angles C4'-P-C4' energy: -61.953 flat angles P-C4'-P energy: -54.186 tors. eta vs tors. theta energy: -16.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -604.530967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.530967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.530967 (E_RNA) where: Base-Base interactions energy: -365.831 where: short stacking energy: -176.170 Base-Backbone interact. energy: -0.570 local terms energy: -238.130678 where: bonds (distance) C4'-P energy: -57.481 bonds (distance) P-C4' energy: -65.981 flat angles C4'-P-C4' energy: -67.162 flat angles P-C4'-P energy: -29.628 tors. eta vs tors. theta energy: -17.878 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: 7 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -479.456791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.456791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.456791 (E_RNA) where: Base-Base interactions energy: -257.828 where: short stacking energy: -147.670 Base-Backbone interact. energy: 0.712 local terms energy: -222.340673 where: bonds (distance) C4'-P energy: -48.434 bonds (distance) P-C4' energy: -66.275 flat angles C4'-P-C4' energy: -65.751 flat angles P-C4'-P energy: -37.902 tors. eta vs tors. theta energy: -3.979 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: 9 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1441.722662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.722662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.722662 (E_RNA) where: Base-Base interactions energy: -996.475 where: short stacking energy: -421.547 Base-Backbone interact. energy: -4.978 local terms energy: -440.269107 where: bonds (distance) C4'-P energy: -74.650 bonds (distance) P-C4' energy: -87.668 flat angles C4'-P-C4' energy: -90.256 flat angles P-C4'-P energy: -64.709 tors. eta vs tors. theta energy: -122.985 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: 2, replica: 10 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1372.730117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.730117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.730117 (E_RNA) where: Base-Base interactions energy: -940.764 where: short stacking energy: -403.046 Base-Backbone interact. energy: -0.768 local terms energy: -431.198025 where: bonds (distance) C4'-P energy: -81.626 bonds (distance) P-C4' energy: -81.585 flat angles C4'-P-C4' energy: -91.879 flat angles P-C4'-P energy: -53.334 tors. eta vs tors. theta energy: -122.773 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: 5 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1309.844037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.844037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.844037 (E_RNA) where: Base-Base interactions energy: -933.627 where: short stacking energy: -373.010 Base-Backbone interact. energy: 0.010 local terms energy: -376.226692 where: bonds (distance) C4'-P energy: -70.232 bonds (distance) P-C4' energy: -66.115 flat angles C4'-P-C4' energy: -83.703 flat angles P-C4'-P energy: -45.902 tors. eta vs tors. theta energy: -110.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1237.279742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.279742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.279742 (E_RNA) where: Base-Base interactions energy: -833.400 where: short stacking energy: -379.364 Base-Backbone interact. energy: 0.443 local terms energy: -404.323095 where: bonds (distance) C4'-P energy: -75.126 bonds (distance) P-C4' energy: -72.973 flat angles C4'-P-C4' energy: -85.584 flat angles P-C4'-P energy: -51.115 tors. eta vs tors. theta energy: -119.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1141.310927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.310927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.310927 (E_RNA) where: Base-Base interactions energy: -751.916 where: short stacking energy: -318.675 Base-Backbone interact. energy: -2.567 local terms energy: -386.827773 where: bonds (distance) C4'-P energy: -68.368 bonds (distance) P-C4' energy: -76.003 flat angles C4'-P-C4' energy: -84.018 flat angles P-C4'-P energy: -68.079 tors. eta vs tors. theta energy: -90.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1097.286527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.286527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.286527 (E_RNA) where: Base-Base interactions energy: -747.139 where: short stacking energy: -282.097 Base-Backbone interact. energy: 2.124 local terms energy: -352.271388 where: bonds (distance) C4'-P energy: -74.590 bonds (distance) P-C4' energy: -63.584 flat angles C4'-P-C4' energy: -81.239 flat angles P-C4'-P energy: -49.850 tors. eta vs tors. theta energy: -83.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1038.975821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.975821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.975821 (E_RNA) where: Base-Base interactions energy: -705.318 where: short stacking energy: -329.651 Base-Backbone interact. energy: -0.807 local terms energy: -332.851393 where: bonds (distance) C4'-P energy: -53.652 bonds (distance) P-C4' energy: -64.595 flat angles C4'-P-C4' energy: -81.056 flat angles P-C4'-P energy: -50.694 tors. eta vs tors. theta energy: -82.854 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: 1 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -646.008902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.008902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.008902 (E_RNA) where: Base-Base interactions energy: -350.284 where: short stacking energy: -185.038 Base-Backbone interact. energy: -0.753 local terms energy: -294.971886 where: bonds (distance) C4'-P energy: -65.429 bonds (distance) P-C4' energy: -75.527 flat angles C4'-P-C4' energy: -71.133 flat angles P-C4'-P energy: -42.294 tors. eta vs tors. theta energy: -40.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -591.445194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.445194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.445194 (E_RNA) where: Base-Base interactions energy: -331.632 where: short stacking energy: -181.569 Base-Backbone interact. energy: -1.188 local terms energy: -258.624959 where: bonds (distance) C4'-P energy: -59.388 bonds (distance) P-C4' energy: -71.725 flat angles C4'-P-C4' energy: -60.135 flat angles P-C4'-P energy: -34.894 tors. eta vs tors. theta energy: -32.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -468.216520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.216520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.216520 (E_RNA) where: Base-Base interactions energy: -259.527 where: short stacking energy: -143.951 Base-Backbone interact. energy: -2.000 local terms energy: -206.689728 where: bonds (distance) C4'-P energy: -56.231 bonds (distance) P-C4' energy: -56.101 flat angles C4'-P-C4' energy: -47.645 flat angles P-C4'-P energy: -37.455 tors. eta vs tors. theta energy: -9.258 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: 9 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1455.039243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.039243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.039243 (E_RNA) where: Base-Base interactions energy: -1003.670 where: short stacking energy: -448.360 Base-Backbone interact. energy: -2.744 local terms energy: -448.625507 where: bonds (distance) C4'-P energy: -71.647 bonds (distance) P-C4' energy: -81.713 flat angles C4'-P-C4' energy: -85.844 flat angles P-C4'-P energy: -69.912 tors. eta vs tors. theta energy: -139.510 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: 5 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1344.920793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.920793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.920793 (E_RNA) where: Base-Base interactions energy: -930.126 where: short stacking energy: -381.207 Base-Backbone interact. energy: -5.104 local terms energy: -409.691506 where: bonds (distance) C4'-P energy: -66.819 bonds (distance) P-C4' energy: -78.100 flat angles C4'-P-C4' energy: -86.721 flat angles P-C4'-P energy: -57.620 tors. eta vs tors. theta energy: -120.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1360.635839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.635839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.635839 (E_RNA) where: Base-Base interactions energy: -947.635 where: short stacking energy: -400.960 Base-Backbone interact. energy: -1.959 local terms energy: -411.042056 where: bonds (distance) C4'-P energy: -67.875 bonds (distance) P-C4' energy: -74.517 flat angles C4'-P-C4' energy: -91.179 flat angles P-C4'-P energy: -63.750 tors. eta vs tors. theta energy: -113.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1240.942601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.942601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.942601 (E_RNA) where: Base-Base interactions energy: -849.654 where: short stacking energy: -373.288 Base-Backbone interact. energy: -1.322 local terms energy: -389.966699 where: bonds (distance) C4'-P energy: -73.250 bonds (distance) P-C4' energy: -76.215 flat angles C4'-P-C4' energy: -89.027 flat angles P-C4'-P energy: -52.124 tors. eta vs tors. theta energy: -99.351 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: 3 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1156.787060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.787060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.787060 (E_RNA) where: Base-Base interactions energy: -794.177 where: short stacking energy: -348.366 Base-Backbone interact. energy: -0.966 local terms energy: -361.644009 where: bonds (distance) C4'-P energy: -73.349 bonds (distance) P-C4' energy: -61.825 flat angles C4'-P-C4' energy: -83.412 flat angles P-C4'-P energy: -48.676 tors. eta vs tors. theta energy: -94.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1126.922903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.922903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.922903 (E_RNA) where: Base-Base interactions energy: -784.646 where: short stacking energy: -336.847 Base-Backbone interact. energy: -2.458 local terms energy: -339.818880 where: bonds (distance) C4'-P energy: -69.017 bonds (distance) P-C4' energy: -60.686 flat angles C4'-P-C4' energy: -77.881 flat angles P-C4'-P energy: -48.431 tors. eta vs tors. theta energy: -83.803 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: 7, replica: 4 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1036.214051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.214051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.214051 (E_RNA) where: Base-Base interactions energy: -693.701 where: short stacking energy: -305.901 Base-Backbone interact. energy: -0.717 local terms energy: -341.795669 where: bonds (distance) C4'-P energy: -69.003 bonds (distance) P-C4' energy: -65.700 flat angles C4'-P-C4' energy: -81.759 flat angles P-C4'-P energy: -43.787 tors. eta vs tors. theta energy: -81.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -645.411397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.411397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.411397 (E_RNA) where: Base-Base interactions energy: -389.716 where: short stacking energy: -189.197 Base-Backbone interact. energy: -2.476 local terms energy: -253.219379 where: bonds (distance) C4'-P energy: -67.673 bonds (distance) P-C4' energy: -60.517 flat angles C4'-P-C4' energy: -59.295 flat angles P-C4'-P energy: -43.917 tors. eta vs tors. theta energy: -21.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -591.646694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.646694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.646694 (E_RNA) where: Base-Base interactions energy: -342.567 where: short stacking energy: -171.283 Base-Backbone interact. energy: 2.574 local terms energy: -251.653428 where: bonds (distance) C4'-P energy: -59.505 bonds (distance) P-C4' energy: -78.494 flat angles C4'-P-C4' energy: -64.170 flat angles P-C4'-P energy: -32.628 tors. eta vs tors. theta energy: -16.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -482.973186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.973186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.973186 (E_RNA) where: Base-Base interactions energy: -264.351 where: short stacking energy: -157.937 Base-Backbone interact. energy: -1.409 local terms energy: -217.212981 where: bonds (distance) C4'-P energy: -65.717 bonds (distance) P-C4' energy: -61.275 flat angles C4'-P-C4' energy: -44.209 flat angles P-C4'-P energy: -33.931 tors. eta vs tors. theta energy: -12.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1447.252251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.252251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.252251 (E_RNA) where: Base-Base interactions energy: -1004.182 where: short stacking energy: -440.942 Base-Backbone interact. energy: -2.884 local terms energy: -440.186515 where: bonds (distance) C4'-P energy: -73.227 bonds (distance) P-C4' energy: -80.608 flat angles C4'-P-C4' energy: -89.157 flat angles P-C4'-P energy: -60.769 tors. eta vs tors. theta energy: -136.424 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: 5 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1344.826380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.826380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.826380 (E_RNA) where: Base-Base interactions energy: -942.612 where: short stacking energy: -398.246 Base-Backbone interact. energy: -2.993 local terms energy: -399.221546 where: bonds (distance) C4'-P energy: -66.279 bonds (distance) P-C4' energy: -79.731 flat angles C4'-P-C4' energy: -86.606 flat angles P-C4'-P energy: -55.082 tors. eta vs tors. theta energy: -111.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1343.988298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.988298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.988298 (E_RNA) where: Base-Base interactions energy: -928.110 where: short stacking energy: -404.680 Base-Backbone interact. energy: 0.915 local terms energy: -416.793054 where: bonds (distance) C4'-P energy: -75.784 bonds (distance) P-C4' energy: -62.065 flat angles C4'-P-C4' energy: -90.667 flat angles P-C4'-P energy: -70.947 tors. eta vs tors. theta energy: -117.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1247.929598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.929598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.929598 (E_RNA) where: Base-Base interactions energy: -869.701 where: short stacking energy: -355.402 Base-Backbone interact. energy: -0.822 local terms energy: -377.406009 where: bonds (distance) C4'-P energy: -66.415 bonds (distance) P-C4' energy: -64.569 flat angles C4'-P-C4' energy: -79.339 flat angles P-C4'-P energy: -65.684 tors. eta vs tors. theta energy: -101.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1175.218486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.218486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.218486 (E_RNA) where: Base-Base interactions energy: -825.668 where: short stacking energy: -353.171 Base-Backbone interact. energy: -1.991 local terms energy: -347.559508 where: bonds (distance) C4'-P energy: -70.812 bonds (distance) P-C4' energy: -72.284 flat angles C4'-P-C4' energy: -68.906 flat angles P-C4'-P energy: -53.919 tors. eta vs tors. theta energy: -81.638 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: 8 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1040.634275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.634275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.634275 (E_RNA) where: Base-Base interactions energy: -678.103 where: short stacking energy: -305.802 Base-Backbone interact. energy: -1.214 local terms energy: -361.318044 where: bonds (distance) C4'-P energy: -72.904 bonds (distance) P-C4' energy: -71.618 flat angles C4'-P-C4' energy: -70.122 flat angles P-C4'-P energy: -60.459 tors. eta vs tors. theta energy: -86.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1024.886195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.886195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.886195 (E_RNA) where: Base-Base interactions energy: -694.837 where: short stacking energy: -302.570 Base-Backbone interact. energy: -0.976 local terms energy: -329.072878 where: bonds (distance) C4'-P energy: -57.132 bonds (distance) P-C4' energy: -67.216 flat angles C4'-P-C4' energy: -73.229 flat angles P-C4'-P energy: -52.651 tors. eta vs tors. theta energy: -78.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -621.722847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.722847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.722847 (E_RNA) where: Base-Base interactions energy: -359.670 where: short stacking energy: -187.925 Base-Backbone interact. energy: -2.174 local terms energy: -259.878276 where: bonds (distance) C4'-P energy: -61.448 bonds (distance) P-C4' energy: -67.382 flat angles C4'-P-C4' energy: -52.746 flat angles P-C4'-P energy: -50.485 tors. eta vs tors. theta energy: -27.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -579.712117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.712117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.712117 (E_RNA) where: Base-Base interactions energy: -308.811 where: short stacking energy: -154.606 Base-Backbone interact. energy: -0.939 local terms energy: -269.962152 where: bonds (distance) C4'-P energy: -55.792 bonds (distance) P-C4' energy: -77.627 flat angles C4'-P-C4' energy: -65.925 flat angles P-C4'-P energy: -50.185 tors. eta vs tors. theta energy: -20.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -506.396648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.396648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.396648 (E_RNA) where: Base-Base interactions energy: -290.503 where: short stacking energy: -148.374 Base-Backbone interact. energy: -1.532 local terms energy: -214.361466 where: bonds (distance) C4'-P energy: -54.799 bonds (distance) P-C4' energy: -69.173 flat angles C4'-P-C4' energy: -48.938 flat angles P-C4'-P energy: -33.365 tors. eta vs tors. theta energy: -8.087 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: 9 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1423.203024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.203024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.203024 (E_RNA) where: Base-Base interactions energy: -987.864 where: short stacking energy: -439.427 Base-Backbone interact. energy: -2.961 local terms energy: -432.378053 where: bonds (distance) C4'-P energy: -70.837 bonds (distance) P-C4' energy: -84.729 flat angles C4'-P-C4' energy: -93.816 flat angles P-C4'-P energy: -53.971 tors. eta vs tors. theta energy: -129.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1380.848245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.848245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.848245 (E_RNA) where: Base-Base interactions energy: -948.505 where: short stacking energy: -419.154 Base-Backbone interact. energy: -3.080 local terms energy: -429.263598 where: bonds (distance) C4'-P energy: -83.730 bonds (distance) P-C4' energy: -79.452 flat angles C4'-P-C4' energy: -86.752 flat angles P-C4'-P energy: -57.194 tors. eta vs tors. theta energy: -122.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1332.190253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.190253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.190253 (E_RNA) where: Base-Base interactions energy: -932.513 where: short stacking energy: -370.812 Base-Backbone interact. energy: -7.448 local terms energy: -392.229201 where: bonds (distance) C4'-P energy: -66.477 bonds (distance) P-C4' energy: -72.681 flat angles C4'-P-C4' energy: -91.260 flat angles P-C4'-P energy: -52.873 tors. eta vs tors. theta energy: -108.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1248.990550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.990550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.990550 (E_RNA) where: Base-Base interactions energy: -856.082 where: short stacking energy: -365.892 Base-Backbone interact. energy: 0.471 local terms energy: -393.379049 where: bonds (distance) C4'-P energy: -64.244 bonds (distance) P-C4' energy: -72.789 flat angles C4'-P-C4' energy: -78.191 flat angles P-C4'-P energy: -65.800 tors. eta vs tors. theta energy: -112.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1194.709830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.709830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.709830 (E_RNA) where: Base-Base interactions energy: -840.499 where: short stacking energy: -349.620 Base-Backbone interact. energy: -1.158 local terms energy: -353.052616 where: bonds (distance) C4'-P energy: -67.066 bonds (distance) P-C4' energy: -73.752 flat angles C4'-P-C4' energy: -71.350 flat angles P-C4'-P energy: -55.722 tors. eta vs tors. theta energy: -85.162 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: 4 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1083.732403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.732403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.732403 (E_RNA) where: Base-Base interactions energy: -736.826 where: short stacking energy: -319.210 Base-Backbone interact. energy: -2.188 local terms energy: -344.719074 where: bonds (distance) C4'-P energy: -42.674 bonds (distance) P-C4' energy: -84.733 flat angles C4'-P-C4' energy: -79.273 flat angles P-C4'-P energy: -53.586 tors. eta vs tors. theta energy: -84.453 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: 8 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -980.093680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.093680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.093680 (E_RNA) where: Base-Base interactions energy: -657.719 where: short stacking energy: -280.611 Base-Backbone interact. energy: 0.416 local terms energy: -322.790388 where: bonds (distance) C4'-P energy: -60.095 bonds (distance) P-C4' energy: -76.725 flat angles C4'-P-C4' energy: -67.305 flat angles P-C4'-P energy: -52.718 tors. eta vs tors. theta energy: -65.947 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: 8, replica: 1 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -619.748270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.748270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.748270 (E_RNA) where: Base-Base interactions energy: -367.950 where: short stacking energy: -191.538 Base-Backbone interact. energy: -2.887 local terms energy: -248.911733 where: bonds (distance) C4'-P energy: -58.541 bonds (distance) P-C4' energy: -62.185 flat angles C4'-P-C4' energy: -54.793 flat angles P-C4'-P energy: -42.169 tors. eta vs tors. theta energy: -31.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -585.966542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.966542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.966542 (E_RNA) where: Base-Base interactions energy: -349.413 where: short stacking energy: -173.636 Base-Backbone interact. energy: -2.155 local terms energy: -234.398564 where: bonds (distance) C4'-P energy: -51.114 bonds (distance) P-C4' energy: -68.334 flat angles C4'-P-C4' energy: -67.533 flat angles P-C4'-P energy: -18.526 tors. eta vs tors. theta energy: -28.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -464.775030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.775030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.775030 (E_RNA) where: Base-Base interactions energy: -251.830 where: short stacking energy: -133.754 Base-Backbone interact. energy: 10.306 local terms energy: -223.251412 where: bonds (distance) C4'-P energy: -49.976 bonds (distance) P-C4' energy: -72.260 flat angles C4'-P-C4' energy: -59.945 flat angles P-C4'-P energy: -32.934 tors. eta vs tors. theta energy: -8.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1409.983870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.983870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.983870 (E_RNA) where: Base-Base interactions energy: -968.082 where: short stacking energy: -434.629 Base-Backbone interact. energy: -0.922 local terms energy: -440.979732 where: bonds (distance) C4'-P energy: -76.364 bonds (distance) P-C4' energy: -82.893 flat angles C4'-P-C4' energy: -98.359 flat angles P-C4'-P energy: -60.559 tors. eta vs tors. theta energy: -122.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1397.746719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.746719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.746719 (E_RNA) where: Base-Base interactions energy: -955.782 where: short stacking energy: -434.302 Base-Backbone interact. energy: -1.294 local terms energy: -440.670854 where: bonds (distance) C4'-P energy: -72.196 bonds (distance) P-C4' energy: -80.193 flat angles C4'-P-C4' energy: -95.499 flat angles P-C4'-P energy: -65.807 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: 3, replica: 5 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1317.552780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.552780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.552780 (E_RNA) where: Base-Base interactions energy: -911.962 where: short stacking energy: -388.286 Base-Backbone interact. energy: -2.335 local terms energy: -403.255850 where: bonds (distance) C4'-P energy: -74.431 bonds (distance) P-C4' energy: -68.241 flat angles C4'-P-C4' energy: -84.330 flat angles P-C4'-P energy: -61.224 tors. eta vs tors. theta energy: -115.030 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: 6 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1268.712280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.712280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.712280 (E_RNA) where: Base-Base interactions energy: -872.991 where: short stacking energy: -355.722 Base-Backbone interact. energy: 0.127 local terms energy: -395.848267 where: bonds (distance) C4'-P energy: -78.395 bonds (distance) P-C4' energy: -84.170 flat angles C4'-P-C4' energy: -86.935 flat angles P-C4'-P energy: -51.436 tors. eta vs tors. theta energy: -94.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1169.241515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.241515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.241515 (E_RNA) where: Base-Base interactions energy: -803.598 where: short stacking energy: -313.756 Base-Backbone interact. energy: -2.083 local terms energy: -363.560706 where: bonds (distance) C4'-P energy: -74.637 bonds (distance) P-C4' energy: -77.954 flat angles C4'-P-C4' energy: -84.604 flat angles P-C4'-P energy: -54.915 tors. eta vs tors. theta energy: -71.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1097.797777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.797777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.797777 (E_RNA) where: Base-Base interactions energy: -756.277 where: short stacking energy: -330.164 Base-Backbone interact. energy: -0.985 local terms energy: -340.536327 where: bonds (distance) C4'-P energy: -68.992 bonds (distance) P-C4' energy: -71.134 flat angles C4'-P-C4' energy: -61.919 flat angles P-C4'-P energy: -50.414 tors. eta vs tors. theta energy: -88.077 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: 8 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -994.002013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.002013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.002013 (E_RNA) where: Base-Base interactions energy: -665.599 where: short stacking energy: -297.360 Base-Backbone interact. energy: -1.053 local terms energy: -327.349066 where: bonds (distance) C4'-P energy: -63.658 bonds (distance) P-C4' energy: -58.421 flat angles C4'-P-C4' energy: -78.533 flat angles P-C4'-P energy: -54.909 tors. eta vs tors. theta energy: -71.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -617.460317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.460317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.460317 (E_RNA) where: Base-Base interactions energy: -352.553 where: short stacking energy: -195.955 Base-Backbone interact. energy: -0.585 local terms energy: -264.322255 where: bonds (distance) C4'-P energy: -58.978 bonds (distance) P-C4' energy: -59.992 flat angles C4'-P-C4' energy: -70.678 flat angles P-C4'-P energy: -45.336 tors. eta vs tors. theta energy: -29.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -616.556135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.556135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.556135 (E_RNA) where: Base-Base interactions energy: -345.264 where: short stacking energy: -183.263 Base-Backbone interact. energy: 1.104 local terms energy: -272.396866 where: bonds (distance) C4'-P energy: -58.972 bonds (distance) P-C4' energy: -70.646 flat angles C4'-P-C4' energy: -67.841 flat angles P-C4'-P energy: -46.531 tors. eta vs tors. theta energy: -28.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -479.608401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.608401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.608401 (E_RNA) where: Base-Base interactions energy: -262.425 where: short stacking energy: -133.439 Base-Backbone interact. energy: 4.994 local terms energy: -222.177035 where: bonds (distance) C4'-P energy: -70.994 bonds (distance) P-C4' energy: -71.779 flat angles C4'-P-C4' energy: -54.267 flat angles P-C4'-P energy: -29.112 tors. eta vs tors. theta energy: 3.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1405.093391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.093391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.093391 (E_RNA) where: Base-Base interactions energy: -961.103 where: short stacking energy: -414.810 Base-Backbone interact. energy: -0.433 local terms energy: -443.557349 where: bonds (distance) C4'-P energy: -81.429 bonds (distance) P-C4' energy: -82.845 flat angles C4'-P-C4' energy: -94.192 flat angles P-C4'-P energy: -61.411 tors. eta vs tors. theta energy: -123.680 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: 9 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1388.964158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.964158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.964158 (E_RNA) where: Base-Base interactions energy: -955.814 where: short stacking energy: -415.034 Base-Backbone interact. energy: -2.039 local terms energy: -431.110619 where: bonds (distance) C4'-P energy: -69.803 bonds (distance) P-C4' energy: -85.316 flat angles C4'-P-C4' energy: -88.648 flat angles P-C4'-P energy: -60.760 tors. eta vs tors. theta energy: -126.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1332.907042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.907042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.907042 (E_RNA) where: Base-Base interactions energy: -919.202 where: short stacking energy: -395.647 Base-Backbone interact. energy: -3.531 local terms energy: -410.174232 where: bonds (distance) C4'-P energy: -70.025 bonds (distance) P-C4' energy: -75.388 flat angles C4'-P-C4' energy: -88.852 flat angles P-C4'-P energy: -58.409 tors. eta vs tors. theta energy: -117.500 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: 4, replica: 6 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1262.255110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.255110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.255110 (E_RNA) where: Base-Base interactions energy: -870.310 where: short stacking energy: -374.243 Base-Backbone interact. energy: 2.546 local terms energy: -394.490333 where: bonds (distance) C4'-P energy: -64.174 bonds (distance) P-C4' energy: -73.089 flat angles C4'-P-C4' energy: -84.932 flat angles P-C4'-P energy: -63.430 tors. eta vs tors. theta energy: -108.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1181.884286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.884286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.884286 (E_RNA) where: Base-Base interactions energy: -817.538 where: short stacking energy: -339.552 Base-Backbone interact. energy: -1.151 local terms energy: -363.195093 where: bonds (distance) C4'-P energy: -71.455 bonds (distance) P-C4' energy: -69.344 flat angles C4'-P-C4' energy: -82.180 flat angles P-C4'-P energy: -50.021 tors. eta vs tors. theta energy: -90.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1099.493275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.493275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.493275 (E_RNA) where: Base-Base interactions energy: -737.816 where: short stacking energy: -321.409 Base-Backbone interact. energy: -3.529 local terms energy: -358.148557 where: bonds (distance) C4'-P energy: -62.341 bonds (distance) P-C4' energy: -75.172 flat angles C4'-P-C4' energy: -78.066 flat angles P-C4'-P energy: -47.785 tors. eta vs tors. theta energy: -94.785 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: 8 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -977.607966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.607966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.607966 (E_RNA) where: Base-Base interactions energy: -682.144 where: short stacking energy: -278.384 Base-Backbone interact. energy: 1.580 local terms energy: -297.043606 where: bonds (distance) C4'-P energy: -52.729 bonds (distance) P-C4' energy: -73.682 flat angles C4'-P-C4' energy: -68.755 flat angles P-C4'-P energy: -37.958 tors. eta vs tors. theta energy: -63.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -690.121997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.121997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.121997 (E_RNA) where: Base-Base interactions energy: -398.198 where: short stacking energy: -206.041 Base-Backbone interact. energy: 1.274 local terms energy: -293.198411 where: bonds (distance) C4'-P energy: -66.051 bonds (distance) P-C4' energy: -74.686 flat angles C4'-P-C4' energy: -83.423 flat angles P-C4'-P energy: -37.615 tors. eta vs tors. theta energy: -31.425 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: 9, replica: 2 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -576.793881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.793881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.793881 (E_RNA) where: Base-Base interactions energy: -339.692 where: short stacking energy: -172.797 Base-Backbone interact. energy: -2.389 local terms energy: -234.712067 where: bonds (distance) C4'-P energy: -64.221 bonds (distance) P-C4' energy: -68.058 flat angles C4'-P-C4' energy: -46.237 flat angles P-C4'-P energy: -41.961 tors. eta vs tors. theta energy: -14.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -477.059017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.059017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.059017 (E_RNA) where: Base-Base interactions energy: -251.326 where: short stacking energy: -136.740 Base-Backbone interact. energy: -1.318 local terms energy: -224.414863 where: bonds (distance) C4'-P energy: -41.813 bonds (distance) P-C4' energy: -66.870 flat angles C4'-P-C4' energy: -63.933 flat angles P-C4'-P energy: -41.240 tors. eta vs tors. theta energy: -10.559 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: 468 Temperature: 0.900000 Total energy: -1422.583330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.583330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.583330 (E_RNA) where: Base-Base interactions energy: -977.357 where: short stacking energy: -441.718 Base-Backbone interact. energy: -1.006 local terms energy: -444.220089 where: bonds (distance) C4'-P energy: -72.456 bonds (distance) P-C4' energy: -81.131 flat angles C4'-P-C4' energy: -93.929 flat angles P-C4'-P energy: -69.065 tors. eta vs tors. theta energy: -127.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1388.267184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.267184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.267184 (E_RNA) where: Base-Base interactions energy: -947.349 where: short stacking energy: -426.203 Base-Backbone interact. energy: -0.654 local terms energy: -440.264816 where: bonds (distance) C4'-P energy: -76.818 bonds (distance) P-C4' energy: -76.544 flat angles C4'-P-C4' energy: -93.709 flat angles P-C4'-P energy: -65.524 tors. eta vs tors. theta energy: -127.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1335.451804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.451804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.451804 (E_RNA) where: Base-Base interactions energy: -906.664 where: short stacking energy: -405.890 Base-Backbone interact. energy: -3.215 local terms energy: -425.572616 where: bonds (distance) C4'-P energy: -84.857 bonds (distance) P-C4' energy: -70.335 flat angles C4'-P-C4' energy: -89.158 flat angles P-C4'-P energy: -64.888 tors. eta vs tors. theta energy: -116.335 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: 4, replica: 6 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1255.122891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.122891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.122891 (E_RNA) where: Base-Base interactions energy: -877.054 where: short stacking energy: -387.806 Base-Backbone interact. energy: -3.340 local terms energy: -374.729718 where: bonds (distance) C4'-P energy: -69.912 bonds (distance) P-C4' energy: -68.311 flat angles C4'-P-C4' energy: -84.896 flat angles P-C4'-P energy: -48.413 tors. eta vs tors. theta energy: -103.198 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: 5, replica: 4 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1114.832380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.832380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.832380 (E_RNA) where: Base-Base interactions energy: -733.330 where: short stacking energy: -324.561 Base-Backbone interact. energy: -0.920 local terms energy: -380.582050 where: bonds (distance) C4'-P energy: -77.919 bonds (distance) P-C4' energy: -68.341 flat angles C4'-P-C4' energy: -81.329 flat angles P-C4'-P energy: -59.980 tors. eta vs tors. theta energy: -93.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1127.022143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.022143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.022143 (E_RNA) where: Base-Base interactions energy: -763.236 where: short stacking energy: -326.347 Base-Backbone interact. energy: 0.582 local terms energy: -364.368164 where: bonds (distance) C4'-P energy: -56.800 bonds (distance) P-C4' energy: -85.960 flat angles C4'-P-C4' energy: -78.601 flat angles P-C4'-P energy: -47.498 tors. eta vs tors. theta energy: -95.510 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: 8 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1000.995764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.995764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.995764 (E_RNA) where: Base-Base interactions energy: -666.637 where: short stacking energy: -282.211 Base-Backbone interact. energy: -1.683 local terms energy: -332.676498 where: bonds (distance) C4'-P energy: -72.358 bonds (distance) P-C4' energy: -76.962 flat angles C4'-P-C4' energy: -64.176 flat angles P-C4'-P energy: -47.855 tors. eta vs tors. theta energy: -71.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -669.269419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.269419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.269419 (E_RNA) where: Base-Base interactions energy: -420.179 where: short stacking energy: -189.224 Base-Backbone interact. energy: -1.347 local terms energy: -247.744118 where: bonds (distance) C4'-P energy: -47.385 bonds (distance) P-C4' energy: -54.863 flat angles C4'-P-C4' energy: -70.930 flat angles P-C4'-P energy: -36.502 tors. eta vs tors. theta energy: -38.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -581.411103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.411103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.411103 (E_RNA) where: Base-Base interactions energy: -338.395 where: short stacking energy: -167.664 Base-Backbone interact. energy: -1.331 local terms energy: -241.685239 where: bonds (distance) C4'-P energy: -60.342 bonds (distance) P-C4' energy: -66.068 flat angles C4'-P-C4' energy: -69.368 flat angles P-C4'-P energy: -34.299 tors. eta vs tors. theta energy: -11.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -479.711026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.711026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.711026 (E_RNA) where: Base-Base interactions energy: -263.298 where: short stacking energy: -141.027 Base-Backbone interact. energy: 0.105 local terms energy: -216.517225 where: bonds (distance) C4'-P energy: -59.221 bonds (distance) P-C4' energy: -67.636 flat angles C4'-P-C4' energy: -46.510 flat angles P-C4'-P energy: -35.177 tors. eta vs tors. theta energy: -7.973 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: 10 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1424.284364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.284364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.284364 (E_RNA) where: Base-Base interactions energy: -977.987 where: short stacking energy: -426.025 Base-Backbone interact. energy: 0.198 local terms energy: -446.495885 where: bonds (distance) C4'-P energy: -76.653 bonds (distance) P-C4' energy: -78.320 flat angles C4'-P-C4' energy: -89.901 flat angles P-C4'-P energy: -71.751 tors. eta vs tors. theta energy: -129.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1400.435818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.435818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.435818 (E_RNA) where: Base-Base interactions energy: -959.401 where: short stacking energy: -426.406 Base-Backbone interact. energy: -3.129 local terms energy: -437.905237 where: bonds (distance) C4'-P energy: -70.478 bonds (distance) P-C4' energy: -79.419 flat angles C4'-P-C4' energy: -88.739 flat angles P-C4'-P energy: -68.738 tors. eta vs tors. theta energy: -130.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1332.206534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.206534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.206534 (E_RNA) where: Base-Base interactions energy: -904.450 where: short stacking energy: -409.736 Base-Backbone interact. energy: -1.067 local terms energy: -426.690006 where: bonds (distance) C4'-P energy: -79.793 bonds (distance) P-C4' energy: -81.197 flat angles C4'-P-C4' energy: -88.030 flat angles P-C4'-P energy: -65.002 tors. eta vs tors. theta energy: -112.668 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: 6 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1250.637330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.637330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.637330 (E_RNA) where: Base-Base interactions energy: -846.564 where: short stacking energy: -369.095 Base-Backbone interact. energy: -1.249 local terms energy: -402.824621 where: bonds (distance) C4'-P energy: -69.967 bonds (distance) P-C4' energy: -79.958 flat angles C4'-P-C4' energy: -84.236 flat angles P-C4'-P energy: -61.354 tors. eta vs tors. theta energy: -107.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1139.226965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.226965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.226965 (E_RNA) where: Base-Base interactions energy: -769.828 where: short stacking energy: -362.870 Base-Backbone interact. energy: -0.726 local terms energy: -368.672693 where: bonds (distance) C4'-P energy: -63.146 bonds (distance) P-C4' energy: -72.313 flat angles C4'-P-C4' energy: -76.147 flat angles P-C4'-P energy: -57.059 tors. eta vs tors. theta energy: -100.008 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: 3 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1110.211828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.211828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.211828 (E_RNA) where: Base-Base interactions energy: -778.375 where: short stacking energy: -327.315 Base-Backbone interact. energy: -1.019 local terms energy: -330.818198 where: bonds (distance) C4'-P energy: -64.472 bonds (distance) P-C4' energy: -75.119 flat angles C4'-P-C4' energy: -69.161 flat angles P-C4'-P energy: -44.336 tors. eta vs tors. theta energy: -77.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1011.717059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.717059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.717059 (E_RNA) where: Base-Base interactions energy: -681.297 where: short stacking energy: -287.233 Base-Backbone interact. energy: -0.027 local terms energy: -330.392822 where: bonds (distance) C4'-P energy: -64.426 bonds (distance) P-C4' energy: -67.064 flat angles C4'-P-C4' energy: -81.214 flat angles P-C4'-P energy: -49.317 tors. eta vs tors. theta energy: -68.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -688.647473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.647473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.647473 (E_RNA) where: Base-Base interactions energy: -419.574 where: short stacking energy: -220.970 Base-Backbone interact. energy: -1.214 local terms energy: -267.859577 where: bonds (distance) C4'-P energy: -66.573 bonds (distance) P-C4' energy: -54.496 flat angles C4'-P-C4' energy: -63.810 flat angles P-C4'-P energy: -48.715 tors. eta vs tors. theta energy: -34.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -582.689819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.689819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.689819 (E_RNA) where: Base-Base interactions energy: -347.183 where: short stacking energy: -180.677 Base-Backbone interact. energy: -4.037 local terms energy: -231.469574 where: bonds (distance) C4'-P energy: -61.833 bonds (distance) P-C4' energy: -63.385 flat angles C4'-P-C4' energy: -47.651 flat angles P-C4'-P energy: -37.619 tors. eta vs tors. theta energy: -20.982 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: 10, replica: 7 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -477.095242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.095242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.095242 (E_RNA) where: Base-Base interactions energy: -248.883 where: short stacking energy: -140.668 Base-Backbone interact. energy: 0.271 local terms energy: -228.482772 where: bonds (distance) C4'-P energy: -57.542 bonds (distance) P-C4' energy: -67.246 flat angles C4'-P-C4' energy: -63.725 flat angles P-C4'-P energy: -31.425 tors. eta vs tors. theta energy: -8.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1429.650546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.650546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.650546 (E_RNA) where: Base-Base interactions energy: -969.652 where: short stacking energy: -436.697 Base-Backbone interact. energy: -0.659 local terms energy: -459.339076 where: bonds (distance) C4'-P energy: -84.682 bonds (distance) P-C4' energy: -80.123 flat angles C4'-P-C4' energy: -92.222 flat angles P-C4'-P energy: -69.766 tors. eta vs tors. theta energy: -132.547 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: 9 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1382.356448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.356448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.356448 (E_RNA) where: Base-Base interactions energy: -960.969 where: short stacking energy: -415.739 Base-Backbone interact. energy: -1.883 local terms energy: -419.504217 where: bonds (distance) C4'-P energy: -66.518 bonds (distance) P-C4' energy: -80.701 flat angles C4'-P-C4' energy: -88.841 flat angles P-C4'-P energy: -56.194 tors. eta vs tors. theta energy: -127.251 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: 3, replica: 5 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1315.997961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.997961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.997961 (E_RNA) where: Base-Base interactions energy: -900.998 where: short stacking energy: -389.171 Base-Backbone interact. energy: -1.709 local terms energy: -413.291201 where: bonds (distance) C4'-P energy: -74.497 bonds (distance) P-C4' energy: -82.870 flat angles C4'-P-C4' energy: -83.987 flat angles P-C4'-P energy: -60.703 tors. eta vs tors. theta energy: -111.234 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: 4, replica: 6 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1261.632807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.632807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.632807 (E_RNA) where: Base-Base interactions energy: -854.842 where: short stacking energy: -372.115 Base-Backbone interact. energy: -1.498 local terms energy: -405.292990 where: bonds (distance) C4'-P energy: -74.885 bonds (distance) P-C4' energy: -77.628 flat angles C4'-P-C4' energy: -74.044 flat angles P-C4'-P energy: -61.308 tors. eta vs tors. theta energy: -117.429 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: 5, replica: 3 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1178.264025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.264025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.264025 (E_RNA) where: Base-Base interactions energy: -823.837 where: short stacking energy: -351.689 Base-Backbone interact. energy: -0.438 local terms energy: -353.989472 where: bonds (distance) C4'-P energy: -63.165 bonds (distance) P-C4' energy: -70.242 flat angles C4'-P-C4' energy: -76.421 flat angles P-C4'-P energy: -46.340 tors. eta vs tors. theta energy: -97.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1084.177130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.177130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.177130 (E_RNA) where: Base-Base interactions energy: -720.513 where: short stacking energy: -328.334 Base-Backbone interact. energy: 0.563 local terms energy: -364.227196 where: bonds (distance) C4'-P energy: -64.188 bonds (distance) P-C4' energy: -78.513 flat angles C4'-P-C4' energy: -83.175 flat angles P-C4'-P energy: -48.750 tors. eta vs tors. theta energy: -89.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1014.580565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.580565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.580565 (E_RNA) where: Base-Base interactions energy: -691.315 where: short stacking energy: -299.372 Base-Backbone interact. energy: 1.457 local terms energy: -324.722359 where: bonds (distance) C4'-P energy: -65.349 bonds (distance) P-C4' energy: -69.121 flat angles C4'-P-C4' energy: -74.792 flat angles P-C4'-P energy: -47.116 tors. eta vs tors. theta energy: -68.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -704.913151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.913151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.913151 (E_RNA) where: Base-Base interactions energy: -455.366 where: short stacking energy: -195.960 Base-Backbone interact. energy: 1.541 local terms energy: -251.088458 where: bonds (distance) C4'-P energy: -54.283 bonds (distance) P-C4' energy: -70.204 flat angles C4'-P-C4' energy: -59.366 flat angles P-C4'-P energy: -43.977 tors. eta vs tors. theta energy: -23.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -614.093135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.093135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.093135 (E_RNA) where: Base-Base interactions energy: -361.682 where: short stacking energy: -189.878 Base-Backbone interact. energy: 2.397 local terms energy: -254.808604 where: bonds (distance) C4'-P energy: -69.261 bonds (distance) P-C4' energy: -66.123 flat angles C4'-P-C4' energy: -57.353 flat angles P-C4'-P energy: -42.085 tors. eta vs tors. theta energy: -19.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -467.916243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.916243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.916243 (E_RNA) where: Base-Base interactions energy: -240.322 where: short stacking energy: -134.750 Base-Backbone interact. energy: 0.234 local terms energy: -227.827508 where: bonds (distance) C4'-P energy: -64.317 bonds (distance) P-C4' energy: -61.257 flat angles C4'-P-C4' energy: -59.406 flat angles P-C4'-P energy: -37.820 tors. eta vs tors. theta energy: -5.028 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: 10 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1428.485504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.485504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.485504 (E_RNA) where: Base-Base interactions energy: -987.427 where: short stacking energy: -433.871 Base-Backbone interact. energy: 3.613 local terms energy: -444.671494 where: bonds (distance) C4'-P energy: -74.425 bonds (distance) P-C4' energy: -81.187 flat angles C4'-P-C4' energy: -92.378 flat angles P-C4'-P energy: -67.991 tors. eta vs tors. theta energy: -128.689 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: 5 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1337.632241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.632241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.632241 (E_RNA) where: Base-Base interactions energy: -922.648 where: short stacking energy: -383.338 Base-Backbone interact. energy: -2.957 local terms energy: -412.026729 where: bonds (distance) C4'-P energy: -69.165 bonds (distance) P-C4' energy: -86.731 flat angles C4'-P-C4' energy: -84.164 flat angles P-C4'-P energy: -58.522 tors. eta vs tors. theta energy: -113.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1360.633631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.633631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.633631 (E_RNA) where: Base-Base interactions energy: -926.201 where: short stacking energy: -417.892 Base-Backbone interact. energy: 1.240 local terms energy: -435.671970 where: bonds (distance) C4'-P energy: -75.219 bonds (distance) P-C4' energy: -75.119 flat angles C4'-P-C4' energy: -94.054 flat angles P-C4'-P energy: -62.842 tors. eta vs tors. theta energy: -128.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1273.034408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.034408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.034408 (E_RNA) where: Base-Base interactions energy: -879.469 where: short stacking energy: -377.647 Base-Backbone interact. energy: -1.533 local terms energy: -392.032899 where: bonds (distance) C4'-P energy: -61.398 bonds (distance) P-C4' energy: -75.995 flat angles C4'-P-C4' energy: -87.552 flat angles P-C4'-P energy: -63.452 tors. eta vs tors. theta energy: -103.636 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: 5, replica: 3 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1188.758868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.758868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.758868 (E_RNA) where: Base-Base interactions energy: -822.683 where: short stacking energy: -356.410 Base-Backbone interact. energy: -1.825 local terms energy: -364.251326 where: bonds (distance) C4'-P energy: -60.060 bonds (distance) P-C4' energy: -69.467 flat angles C4'-P-C4' energy: -81.973 flat angles P-C4'-P energy: -55.909 tors. eta vs tors. theta energy: -96.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1076.642583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.642583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.642583 (E_RNA) where: Base-Base interactions energy: -728.614 where: short stacking energy: -325.163 Base-Backbone interact. energy: -2.105 local terms energy: -345.923447 where: bonds (distance) C4'-P energy: -67.402 bonds (distance) P-C4' energy: -60.695 flat angles C4'-P-C4' energy: -79.652 flat angles P-C4'-P energy: -51.897 tors. eta vs tors. theta energy: -86.277 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: 8 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1008.461733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.461733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.461733 (E_RNA) where: Base-Base interactions energy: -648.465 where: short stacking energy: -277.080 Base-Backbone interact. energy: -0.867 local terms energy: -359.129714 where: bonds (distance) C4'-P energy: -72.203 bonds (distance) P-C4' energy: -73.120 flat angles C4'-P-C4' energy: -85.894 flat angles P-C4'-P energy: -53.530 tors. eta vs tors. theta energy: -74.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -674.317911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.317911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.317911 (E_RNA) where: Base-Base interactions energy: -364.539 where: short stacking energy: -176.061 Base-Backbone interact. energy: -3.045 local terms energy: -306.734514 where: bonds (distance) C4'-P energy: -70.650 bonds (distance) P-C4' energy: -77.051 flat angles C4'-P-C4' energy: -67.987 flat angles P-C4'-P energy: -51.673 tors. eta vs tors. theta energy: -39.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -660.259910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.259910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.259910 (E_RNA) where: Base-Base interactions energy: -405.416 where: short stacking energy: -185.519 Base-Backbone interact. energy: -0.904 local terms energy: -253.939588 where: bonds (distance) C4'-P energy: -65.742 bonds (distance) P-C4' energy: -64.077 flat angles C4'-P-C4' energy: -64.832 flat angles P-C4'-P energy: -37.645 tors. eta vs tors. theta energy: -21.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -476.750182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.750182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.750182 (E_RNA) where: Base-Base interactions energy: -242.645 where: short stacking energy: -126.178 Base-Backbone interact. energy: 0.296 local terms energy: -234.401073 where: bonds (distance) C4'-P energy: -61.365 bonds (distance) P-C4' energy: -61.400 flat angles C4'-P-C4' energy: -64.135 flat angles P-C4'-P energy: -44.550 tors. eta vs tors. theta energy: -2.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1408.182138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.182138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.182138 (E_RNA) where: Base-Base interactions energy: -975.691 where: short stacking energy: -418.513 Base-Backbone interact. energy: -1.671 local terms energy: -430.819536 where: bonds (distance) C4'-P energy: -79.403 bonds (distance) P-C4' energy: -76.080 flat angles C4'-P-C4' energy: -96.776 flat angles P-C4'-P energy: -55.097 tors. eta vs tors. theta energy: -123.463 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: 5 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1359.652499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.652499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.652499 (E_RNA) where: Base-Base interactions energy: -937.111 where: short stacking energy: -399.831 Base-Backbone interact. energy: -6.056 local terms energy: -416.485540 where: bonds (distance) C4'-P energy: -76.427 bonds (distance) P-C4' energy: -69.058 flat angles C4'-P-C4' energy: -91.888 flat angles P-C4'-P energy: -58.662 tors. eta vs tors. theta energy: -120.450 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: 9 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1362.107850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.107850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.107850 (E_RNA) where: Base-Base interactions energy: -933.372 where: short stacking energy: -416.787 Base-Backbone interact. energy: 0.629 local terms energy: -429.364143 where: bonds (distance) C4'-P energy: -68.804 bonds (distance) P-C4' energy: -82.995 flat angles C4'-P-C4' energy: -90.027 flat angles P-C4'-P energy: -63.948 tors. eta vs tors. theta energy: -123.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1249.700566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.700566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.700566 (E_RNA) where: Base-Base interactions energy: -863.612 where: short stacking energy: -363.211 Base-Backbone interact. energy: 0.638 local terms energy: -386.726853 where: bonds (distance) C4'-P energy: -64.453 bonds (distance) P-C4' energy: -73.178 flat angles C4'-P-C4' energy: -91.336 flat angles P-C4'-P energy: -53.765 tors. eta vs tors. theta energy: -103.995 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: 3 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1165.557644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.557644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.557644 (E_RNA) where: Base-Base interactions energy: -808.940 where: short stacking energy: -333.490 Base-Backbone interact. energy: -0.716 local terms energy: -355.901591 where: bonds (distance) C4'-P energy: -70.745 bonds (distance) P-C4' energy: -80.609 flat angles C4'-P-C4' energy: -71.471 flat angles P-C4'-P energy: -46.191 tors. eta vs tors. theta energy: -86.886 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: 4 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1073.927711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.927711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.927711 (E_RNA) where: Base-Base interactions energy: -749.935 where: short stacking energy: -325.302 Base-Backbone interact. energy: -0.707 local terms energy: -323.285601 where: bonds (distance) C4'-P energy: -73.511 bonds (distance) P-C4' energy: -69.730 flat angles C4'-P-C4' energy: -65.925 flat angles P-C4'-P energy: -43.922 tors. eta vs tors. theta energy: -70.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1006.824163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.824163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.824163 (E_RNA) where: Base-Base interactions energy: -685.908 where: short stacking energy: -291.127 Base-Backbone interact. energy: 4.368 local terms energy: -325.284021 where: bonds (distance) C4'-P energy: -65.424 bonds (distance) P-C4' energy: -73.400 flat angles C4'-P-C4' energy: -81.917 flat angles P-C4'-P energy: -41.232 tors. eta vs tors. theta energy: -63.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -667.546611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.546611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.546611 (E_RNA) where: Base-Base interactions energy: -369.804 where: short stacking energy: -187.474 Base-Backbone interact. energy: -0.952 local terms energy: -296.790827 where: bonds (distance) C4'-P energy: -62.956 bonds (distance) P-C4' energy: -77.826 flat angles C4'-P-C4' energy: -77.994 flat angles P-C4'-P energy: -45.626 tors. eta vs tors. theta energy: -32.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -711.376596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.376596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.376596 (E_RNA) where: Base-Base interactions energy: -422.743 where: short stacking energy: -209.176 Base-Backbone interact. energy: -0.376 local terms energy: -288.257466 where: bonds (distance) C4'-P energy: -64.487 bonds (distance) P-C4' energy: -72.768 flat angles C4'-P-C4' energy: -72.631 flat angles P-C4'-P energy: -26.050 tors. eta vs tors. theta energy: -52.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -463.015376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.015376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.015376 (E_RNA) where: Base-Base interactions energy: -215.701 where: short stacking energy: -114.709 Base-Backbone interact. energy: -0.372 local terms energy: -246.942291 where: bonds (distance) C4'-P energy: -67.311 bonds (distance) P-C4' energy: -72.675 flat angles C4'-P-C4' energy: -53.270 flat angles P-C4'-P energy: -43.930 tors. eta vs tors. theta energy: -9.755 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: 10 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1393.017964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.017964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.017964 (E_RNA) where: Base-Base interactions energy: -968.458 where: short stacking energy: -426.998 Base-Backbone interact. energy: 0.916 local terms energy: -425.475786 where: bonds (distance) C4'-P energy: -84.054 bonds (distance) P-C4' energy: -75.199 flat angles C4'-P-C4' energy: -94.989 flat angles P-C4'-P energy: -49.813 tors. eta vs tors. theta energy: -121.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1388.970900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.970900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.970900 (E_RNA) where: Base-Base interactions energy: -971.241 where: short stacking energy: -421.335 Base-Backbone interact. energy: -2.925 local terms energy: -414.805191 where: bonds (distance) C4'-P energy: -76.645 bonds (distance) P-C4' energy: -66.491 flat angles C4'-P-C4' energy: -93.484 flat angles P-C4'-P energy: -54.771 tors. eta vs tors. theta energy: -123.413 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: 5 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1326.869060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.869060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.869060 (E_RNA) where: Base-Base interactions energy: -904.321 where: short stacking energy: -387.459 Base-Backbone interact. energy: -2.117 local terms energy: -420.431663 where: bonds (distance) C4'-P energy: -72.317 bonds (distance) P-C4' energy: -81.132 flat angles C4'-P-C4' energy: -80.928 flat angles P-C4'-P energy: -66.761 tors. eta vs tors. theta energy: -119.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1263.235499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.235499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.235499 (E_RNA) where: Base-Base interactions energy: -855.062 where: short stacking energy: -365.190 Base-Backbone interact. energy: 0.173 local terms energy: -408.346654 where: bonds (distance) C4'-P energy: -78.480 bonds (distance) P-C4' energy: -78.291 flat angles C4'-P-C4' energy: -83.379 flat angles P-C4'-P energy: -66.884 tors. eta vs tors. theta energy: -101.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1186.512475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.512475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.512475 (E_RNA) where: Base-Base interactions energy: -817.849 where: short stacking energy: -333.722 Base-Backbone interact. energy: -0.463 local terms energy: -368.200516 where: bonds (distance) C4'-P energy: -78.575 bonds (distance) P-C4' energy: -66.917 flat angles C4'-P-C4' energy: -85.228 flat angles P-C4'-P energy: -46.979 tors. eta vs tors. theta energy: -90.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1056.535413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.535413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.535413 (E_RNA) where: Base-Base interactions energy: -711.868 where: short stacking energy: -325.498 Base-Backbone interact. energy: -0.978 local terms energy: -343.690033 where: bonds (distance) C4'-P energy: -74.883 bonds (distance) P-C4' energy: -62.098 flat angles C4'-P-C4' energy: -85.267 flat angles P-C4'-P energy: -47.005 tors. eta vs tors. theta energy: -74.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1037.512446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.512446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.512446 (E_RNA) where: Base-Base interactions energy: -686.531 where: short stacking energy: -316.049 Base-Backbone interact. energy: -1.237 local terms energy: -349.743786 where: bonds (distance) C4'-P energy: -59.359 bonds (distance) P-C4' energy: -67.162 flat angles C4'-P-C4' energy: -80.404 flat angles P-C4'-P energy: -62.941 tors. eta vs tors. theta energy: -79.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -668.507665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.507665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.507665 (E_RNA) where: Base-Base interactions energy: -392.317 where: short stacking energy: -210.270 Base-Backbone interact. energy: 0.356 local terms energy: -276.546741 where: bonds (distance) C4'-P energy: -71.918 bonds (distance) P-C4' energy: -72.355 flat angles C4'-P-C4' energy: -63.922 flat angles P-C4'-P energy: -35.210 tors. eta vs tors. theta energy: -33.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -695.448318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.448318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.448318 (E_RNA) where: Base-Base interactions energy: -436.307 where: short stacking energy: -193.856 Base-Backbone interact. energy: -1.554 local terms energy: -257.586593 where: bonds (distance) C4'-P energy: -61.893 bonds (distance) P-C4' energy: -72.102 flat angles C4'-P-C4' energy: -58.756 flat angles P-C4'-P energy: -47.353 tors. eta vs tors. theta energy: -17.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -491.522402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.522402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.522402 (E_RNA) where: Base-Base interactions energy: -260.868 where: short stacking energy: -132.334 Base-Backbone interact. energy: -1.483 local terms energy: -229.171834 where: bonds (distance) C4'-P energy: -54.639 bonds (distance) P-C4' energy: -68.672 flat angles C4'-P-C4' energy: -50.437 flat angles P-C4'-P energy: -42.317 tors. eta vs tors. theta energy: -13.108 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: 9 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1448.308772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.308772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.308772 (E_RNA) where: Base-Base interactions energy: -1018.253 where: short stacking energy: -455.588 Base-Backbone interact. energy: -2.010 local terms energy: -428.046126 where: bonds (distance) C4'-P energy: -76.576 bonds (distance) P-C4' energy: -67.035 flat angles C4'-P-C4' energy: -95.892 flat angles P-C4'-P energy: -60.711 tors. eta vs tors. theta energy: -127.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1371.671110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.671110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.671110 (E_RNA) where: Base-Base interactions energy: -954.346 where: short stacking energy: -404.381 Base-Backbone interact. energy: -0.749 local terms energy: -416.575563 where: bonds (distance) C4'-P energy: -81.154 bonds (distance) P-C4' energy: -76.118 flat angles C4'-P-C4' energy: -87.093 flat angles P-C4'-P energy: -50.961 tors. eta vs tors. theta energy: -121.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1316.273977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.273977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.273977 (E_RNA) where: Base-Base interactions energy: -900.596 where: short stacking energy: -408.453 Base-Backbone interact. energy: -1.467 local terms energy: -414.210599 where: bonds (distance) C4'-P energy: -83.470 bonds (distance) P-C4' energy: -73.925 flat angles C4'-P-C4' energy: -88.244 flat angles P-C4'-P energy: -51.231 tors. eta vs tors. theta energy: -117.341 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: 6 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1254.067660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.067660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.067660 (E_RNA) where: Base-Base interactions energy: -856.450 where: short stacking energy: -366.591 Base-Backbone interact. energy: -1.923 local terms energy: -395.694869 where: bonds (distance) C4'-P energy: -70.952 bonds (distance) P-C4' energy: -69.004 flat angles C4'-P-C4' energy: -87.417 flat angles P-C4'-P energy: -58.405 tors. eta vs tors. theta energy: -109.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -1201.621371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.621371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.621371 (E_RNA) where: Base-Base interactions energy: -805.319 where: short stacking energy: -328.634 Base-Backbone interact. energy: -0.360 local terms energy: -395.942092 where: bonds (distance) C4'-P energy: -79.315 bonds (distance) P-C4' energy: -91.566 flat angles C4'-P-C4' energy: -77.888 flat angles P-C4'-P energy: -56.396 tors. eta vs tors. theta energy: -90.777 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: 6, replica: 8 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -1075.456393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.456393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.456393 (E_RNA) where: Base-Base interactions energy: -748.979 where: short stacking energy: -316.927 Base-Backbone interact. energy: 0.750 local terms energy: -327.227353 where: bonds (distance) C4'-P energy: -67.718 bonds (distance) P-C4' energy: -71.214 flat angles C4'-P-C4' energy: -74.196 flat angles P-C4'-P energy: -38.793 tors. eta vs tors. theta energy: -75.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1003.073953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.073953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.073953 (E_RNA) where: Base-Base interactions energy: -682.284 where: short stacking energy: -283.920 Base-Backbone interact. energy: -1.587 local terms energy: -319.203446 where: bonds (distance) C4'-P energy: -70.674 bonds (distance) P-C4' energy: -62.329 flat angles C4'-P-C4' energy: -71.799 flat angles P-C4'-P energy: -43.121 tors. eta vs tors. theta energy: -71.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -737.036611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.036611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.036611 (E_RNA) where: Base-Base interactions energy: -463.901 where: short stacking energy: -231.860 Base-Backbone interact. energy: 1.049 local terms energy: -274.184648 where: bonds (distance) C4'-P energy: -56.791 bonds (distance) P-C4' energy: -74.187 flat angles C4'-P-C4' energy: -67.225 flat angles P-C4'-P energy: -34.564 tors. eta vs tors. theta energy: -41.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -664.675880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.675880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.675880 (E_RNA) where: Base-Base interactions energy: -416.033 where: short stacking energy: -207.049 Base-Backbone interact. energy: 4.665 local terms energy: -253.308163 where: bonds (distance) C4'-P energy: -57.861 bonds (distance) P-C4' energy: -59.119 flat angles C4'-P-C4' energy: -72.186 flat angles P-C4'-P energy: -36.753 tors. eta vs tors. theta energy: -27.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -483.806467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.806467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.806467 (E_RNA) where: Base-Base interactions energy: -256.181 where: short stacking energy: -143.190 Base-Backbone interact. energy: 3.014 local terms energy: -230.638785 where: bonds (distance) C4'-P energy: -68.238 bonds (distance) P-C4' energy: -71.301 flat angles C4'-P-C4' energy: -54.814 flat angles P-C4'-P energy: -39.262 tors. eta vs tors. theta energy: 2.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1434.857064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.857064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.857064 (E_RNA) where: Base-Base interactions energy: -993.905 where: short stacking energy: -429.259 Base-Backbone interact. energy: -0.833 local terms energy: -440.119359 where: bonds (distance) C4'-P energy: -69.283 bonds (distance) P-C4' energy: -83.590 flat angles C4'-P-C4' energy: -92.403 flat angles P-C4'-P energy: -64.724 tors. eta vs tors. theta energy: -130.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1356.177863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.177863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.177863 (E_RNA) where: Base-Base interactions energy: -949.604 where: short stacking energy: -408.010 Base-Backbone interact. energy: -0.879 local terms energy: -405.694247 where: bonds (distance) C4'-P energy: -68.860 bonds (distance) P-C4' energy: -82.932 flat angles C4'-P-C4' energy: -82.535 flat angles P-C4'-P energy: -54.391 tors. eta vs tors. theta energy: -116.975 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: 5 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1282.337196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.337196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.337196 (E_RNA) where: Base-Base interactions energy: -899.849 where: short stacking energy: -381.312 Base-Backbone interact. energy: 0.327 local terms energy: -382.815273 where: bonds (distance) C4'-P energy: -70.620 bonds (distance) P-C4' energy: -69.617 flat angles C4'-P-C4' energy: -79.355 flat angles P-C4'-P energy: -49.507 tors. eta vs tors. theta energy: -113.716 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: 6 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1241.160275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.160275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.160275 (E_RNA) where: Base-Base interactions energy: -842.898 where: short stacking energy: -358.020 Base-Backbone interact. energy: -1.144 local terms energy: -397.118379 where: bonds (distance) C4'-P energy: -73.372 bonds (distance) P-C4' energy: -74.363 flat angles C4'-P-C4' energy: -84.534 flat angles P-C4'-P energy: -62.480 tors. eta vs tors. theta energy: -102.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -1172.287301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.287301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.287301 (E_RNA) where: Base-Base interactions energy: -794.227 where: short stacking energy: -348.302 Base-Backbone interact. energy: -1.231 local terms energy: -376.829301 where: bonds (distance) C4'-P energy: -66.479 bonds (distance) P-C4' energy: -69.382 flat angles C4'-P-C4' energy: -83.183 flat angles P-C4'-P energy: -61.564 tors. eta vs tors. theta energy: -96.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1069.161972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.161972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.161972 (E_RNA) where: Base-Base interactions energy: -722.218 where: short stacking energy: -300.355 Base-Backbone interact. energy: -2.956 local terms energy: -343.987046 where: bonds (distance) C4'-P energy: -69.725 bonds (distance) P-C4' energy: -70.208 flat angles C4'-P-C4' energy: -81.016 flat angles P-C4'-P energy: -44.122 tors. eta vs tors. theta energy: -78.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1059.065926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.065926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.065926 (E_RNA) where: Base-Base interactions energy: -715.051 where: short stacking energy: -295.517 Base-Backbone interact. energy: 0.463 local terms energy: -344.478039 where: bonds (distance) C4'-P energy: -67.874 bonds (distance) P-C4' energy: -64.977 flat angles C4'-P-C4' energy: -70.201 flat angles P-C4'-P energy: -59.593 tors. eta vs tors. theta energy: -81.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -717.981820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.981820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.981820 (E_RNA) where: Base-Base interactions energy: -457.393 where: short stacking energy: -196.572 Base-Backbone interact. energy: 0.354 local terms energy: -260.942538 where: bonds (distance) C4'-P energy: -64.457 bonds (distance) P-C4' energy: -68.091 flat angles C4'-P-C4' energy: -56.377 flat angles P-C4'-P energy: -34.382 tors. eta vs tors. theta energy: -37.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -678.799961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.799961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.799961 (E_RNA) where: Base-Base interactions energy: -428.428 where: short stacking energy: -203.118 Base-Backbone interact. energy: 0.379 local terms energy: -250.750537 where: bonds (distance) C4'-P energy: -56.857 bonds (distance) P-C4' energy: -58.048 flat angles C4'-P-C4' energy: -66.536 flat angles P-C4'-P energy: -49.670 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: 7 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -475.996984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.996984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.996984 (E_RNA) where: Base-Base interactions energy: -247.022 where: short stacking energy: -135.913 Base-Backbone interact. energy: -1.223 local terms energy: -227.751338 where: bonds (distance) C4'-P energy: -62.669 bonds (distance) P-C4' energy: -56.734 flat angles C4'-P-C4' energy: -60.005 flat angles P-C4'-P energy: -40.087 tors. eta vs tors. theta energy: -8.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1450.938119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.938119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.938119 (E_RNA) where: Base-Base interactions energy: -1008.022 where: short stacking energy: -430.817 Base-Backbone interact. energy: -0.348 local terms energy: -442.567365 where: bonds (distance) C4'-P energy: -78.843 bonds (distance) P-C4' energy: -84.615 flat angles C4'-P-C4' energy: -96.331 flat angles P-C4'-P energy: -61.507 tors. eta vs tors. theta energy: -121.271 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: 2, replica: 10 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1355.230886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.230886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.230886 (E_RNA) where: Base-Base interactions energy: -941.920 where: short stacking energy: -398.925 Base-Backbone interact. energy: -1.385 local terms energy: -411.925293 where: bonds (distance) C4'-P energy: -70.939 bonds (distance) P-C4' energy: -80.356 flat angles C4'-P-C4' energy: -85.792 flat angles P-C4'-P energy: -59.689 tors. eta vs tors. theta energy: -115.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1288.689903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.689903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.689903 (E_RNA) where: Base-Base interactions energy: -900.897 where: short stacking energy: -389.981 Base-Backbone interact. energy: -1.680 local terms energy: -386.113004 where: bonds (distance) C4'-P energy: -62.338 bonds (distance) P-C4' energy: -68.215 flat angles C4'-P-C4' energy: -91.920 flat angles P-C4'-P energy: -55.395 tors. eta vs tors. theta energy: -108.245 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: 4, replica: 5 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -1270.803383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.803383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.803383 (E_RNA) where: Base-Base interactions energy: -877.566 where: short stacking energy: -382.679 Base-Backbone interact. energy: -2.607 local terms energy: -390.630135 where: bonds (distance) C4'-P energy: -79.772 bonds (distance) P-C4' energy: -65.474 flat angles C4'-P-C4' energy: -78.543 flat angles P-C4'-P energy: -56.559 tors. eta vs tors. theta energy: -110.282 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: 3 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -1153.804758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.804758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.804758 (E_RNA) where: Base-Base interactions energy: -780.833 where: short stacking energy: -345.543 Base-Backbone interact. energy: -1.055 local terms energy: -371.916976 where: bonds (distance) C4'-P energy: -76.188 bonds (distance) P-C4' energy: -68.716 flat angles C4'-P-C4' energy: -78.242 flat angles P-C4'-P energy: -52.762 tors. eta vs tors. theta energy: -96.009 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: 8 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1068.020587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.020587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.020587 (E_RNA) where: Base-Base interactions energy: -737.800 where: short stacking energy: -305.934 Base-Backbone interact. energy: 3.282 local terms energy: -333.502659 where: bonds (distance) C4'-P energy: -59.078 bonds (distance) P-C4' energy: -57.446 flat angles C4'-P-C4' energy: -81.100 flat angles P-C4'-P energy: -49.807 tors. eta vs tors. theta energy: -86.072 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: 7, replica: 4 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1043.542376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.542376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.542376 (E_RNA) where: Base-Base interactions energy: -697.669 where: short stacking energy: -318.908 Base-Backbone interact. energy: -0.905 local terms energy: -344.968134 where: bonds (distance) C4'-P energy: -67.520 bonds (distance) P-C4' energy: -69.949 flat angles C4'-P-C4' energy: -76.139 flat angles P-C4'-P energy: -43.682 tors. eta vs tors. theta energy: -87.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -738.607856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.607856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.607856 (E_RNA) where: Base-Base interactions energy: -460.739 where: short stacking energy: -214.690 Base-Backbone interact. energy: -1.096 local terms energy: -276.772817 where: bonds (distance) C4'-P energy: -61.810 bonds (distance) P-C4' energy: -63.160 flat angles C4'-P-C4' energy: -71.334 flat angles P-C4'-P energy: -45.525 tors. eta vs tors. theta energy: -34.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -717.480419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.480419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.480419 (E_RNA) where: Base-Base interactions energy: -428.094 where: short stacking energy: -190.316 Base-Backbone interact. energy: 0.238 local terms energy: -289.623885 where: bonds (distance) C4'-P energy: -69.642 bonds (distance) P-C4' energy: -71.508 flat angles C4'-P-C4' energy: -75.263 flat angles P-C4'-P energy: -41.357 tors. eta vs tors. theta energy: -31.854 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: 7 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -489.065197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.065197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.065197 (E_RNA) where: Base-Base interactions energy: -270.538 where: short stacking energy: -144.273 Base-Backbone interact. energy: -0.083 local terms energy: -218.443971 where: bonds (distance) C4'-P energy: -60.523 bonds (distance) P-C4' energy: -63.925 flat angles C4'-P-C4' energy: -60.621 flat angles P-C4'-P energy: -32.086 tors. eta vs tors. theta energy: -1.288 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: 9 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1450.565326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.565326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.565326 (E_RNA) where: Base-Base interactions energy: -1021.108 where: short stacking energy: -436.264 Base-Backbone interact. energy: -1.547 local terms energy: -427.910993 where: bonds (distance) C4'-P energy: -72.929 bonds (distance) P-C4' energy: -77.222 flat angles C4'-P-C4' energy: -89.362 flat angles P-C4'-P energy: -62.704 tors. eta vs tors. theta energy: -125.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1378.351571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.351571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.351571 (E_RNA) where: Base-Base interactions energy: -954.991 where: short stacking energy: -419.585 Base-Backbone interact. energy: 2.315 local terms energy: -425.675038 where: bonds (distance) C4'-P energy: -70.988 bonds (distance) P-C4' energy: -67.832 flat angles C4'-P-C4' energy: -92.551 flat angles P-C4'-P energy: -72.602 tors. eta vs tors. theta energy: -121.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1314.314162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.314162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.314162 (E_RNA) where: Base-Base interactions energy: -894.544 where: short stacking energy: -374.892 Base-Backbone interact. energy: -1.096 local terms energy: -418.673982 where: bonds (distance) C4'-P energy: -78.872 bonds (distance) P-C4' energy: -79.962 flat angles C4'-P-C4' energy: -87.907 flat angles P-C4'-P energy: -62.360 tors. eta vs tors. theta energy: -109.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -1285.266375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.266375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.266375 (E_RNA) where: Base-Base interactions energy: -909.743 where: short stacking energy: -367.511 Base-Backbone interact. energy: -5.106 local terms energy: -370.417698 where: bonds (distance) C4'-P energy: -60.172 bonds (distance) P-C4' energy: -72.480 flat angles C4'-P-C4' energy: -79.811 flat angles P-C4'-P energy: -55.806 tors. eta vs tors. theta energy: -102.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1182.523373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.523373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.523373 (E_RNA) where: Base-Base interactions energy: -801.490 where: short stacking energy: -352.335 Base-Backbone interact. energy: -3.327 local terms energy: -377.706662 where: bonds (distance) C4'-P energy: -69.089 bonds (distance) P-C4' energy: -71.100 flat angles C4'-P-C4' energy: -85.740 flat angles P-C4'-P energy: -52.420 tors. eta vs tors. theta energy: -99.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1063.377256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.377256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.377256 (E_RNA) where: Base-Base interactions energy: -724.866 where: short stacking energy: -308.115 Base-Backbone interact. energy: -1.079 local terms energy: -337.431888 where: bonds (distance) C4'-P energy: -65.276 bonds (distance) P-C4' energy: -61.706 flat angles C4'-P-C4' energy: -62.698 flat angles P-C4'-P energy: -58.132 tors. eta vs tors. theta energy: -89.620 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: 4 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1038.560354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.560354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.560354 (E_RNA) where: Base-Base interactions energy: -710.514 where: short stacking energy: -329.731 Base-Backbone interact. energy: 1.176 local terms energy: -329.222879 where: bonds (distance) C4'-P energy: -62.586 bonds (distance) P-C4' energy: -63.030 flat angles C4'-P-C4' energy: -79.992 flat angles P-C4'-P energy: -42.808 tors. eta vs tors. theta energy: -80.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -744.607584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.607584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.607584 (E_RNA) where: Base-Base interactions energy: -474.949 where: short stacking energy: -206.937 Base-Backbone interact. energy: -0.010 local terms energy: -269.648425 where: bonds (distance) C4'-P energy: -75.640 bonds (distance) P-C4' energy: -67.662 flat angles C4'-P-C4' energy: -47.467 flat angles P-C4'-P energy: -41.466 tors. eta vs tors. theta energy: -37.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -767.619478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.619478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.619478 (E_RNA) where: Base-Base interactions energy: -472.375 where: short stacking energy: -207.276 Base-Backbone interact. energy: -1.927 local terms energy: -293.317718 where: bonds (distance) C4'-P energy: -73.678 bonds (distance) P-C4' energy: -61.886 flat angles C4'-P-C4' energy: -63.940 flat angles P-C4'-P energy: -49.520 tors. eta vs tors. theta energy: -44.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -477.144570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.144570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.144570 (E_RNA) where: Base-Base interactions energy: -241.004 where: short stacking energy: -142.437 Base-Backbone interact. energy: -0.434 local terms energy: -235.706806 where: bonds (distance) C4'-P energy: -58.695 bonds (distance) P-C4' energy: -72.425 flat angles C4'-P-C4' energy: -57.811 flat angles P-C4'-P energy: -34.423 tors. eta vs tors. theta energy: -12.353 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: 9 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1439.409247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.409247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.409247 (E_RNA) where: Base-Base interactions energy: -991.379 where: short stacking energy: -431.855 Base-Backbone interact. energy: -1.512 local terms energy: -446.517894 where: bonds (distance) C4'-P energy: -83.960 bonds (distance) P-C4' energy: -73.792 flat angles C4'-P-C4' energy: -86.522 flat angles P-C4'-P energy: -65.777 tors. eta vs tors. theta energy: -136.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1372.229917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.229917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.229917 (E_RNA) where: Base-Base interactions energy: -950.553 where: short stacking energy: -421.714 Base-Backbone interact. energy: -1.795 local terms energy: -419.881661 where: bonds (distance) C4'-P energy: -75.832 bonds (distance) P-C4' energy: -66.765 flat angles C4'-P-C4' energy: -97.065 flat angles P-C4'-P energy: -59.378 tors. eta vs tors. theta energy: -120.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1296.159534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.159534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.159534 (E_RNA) where: Base-Base interactions energy: -892.570 where: short stacking energy: -366.316 Base-Backbone interact. energy: -1.897 local terms energy: -401.692638 where: bonds (distance) C4'-P energy: -78.612 bonds (distance) P-C4' energy: -70.287 flat angles C4'-P-C4' energy: -84.288 flat angles P-C4'-P energy: -60.456 tors. eta vs tors. theta energy: -108.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -1242.598705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.598705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.598705 (E_RNA) where: Base-Base interactions energy: -855.286 where: short stacking energy: -375.863 Base-Backbone interact. energy: -0.809 local terms energy: -386.503434 where: bonds (distance) C4'-P energy: -72.369 bonds (distance) P-C4' energy: -79.082 flat angles C4'-P-C4' energy: -79.446 flat angles P-C4'-P energy: -47.578 tors. eta vs tors. theta energy: -108.029 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: 3 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1148.227304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.227304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.227304 (E_RNA) where: Base-Base interactions energy: -795.786 where: short stacking energy: -331.417 Base-Backbone interact. energy: -1.912 local terms energy: -350.528875 where: bonds (distance) C4'-P energy: -73.568 bonds (distance) P-C4' energy: -72.037 flat angles C4'-P-C4' energy: -66.903 flat angles P-C4'-P energy: -57.731 tors. eta vs tors. theta energy: -80.290 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: 6, replica: 8 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1050.591344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.591344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.591344 (E_RNA) where: Base-Base interactions energy: -711.283 where: short stacking energy: -305.781 Base-Backbone interact. energy: -2.343 local terms energy: -336.965376 where: bonds (distance) C4'-P energy: -64.552 bonds (distance) P-C4' energy: -74.478 flat angles C4'-P-C4' energy: -74.666 flat angles P-C4'-P energy: -45.425 tors. eta vs tors. theta energy: -77.844 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: 4 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1081.161110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.161110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.161110 (E_RNA) where: Base-Base interactions energy: -730.990 where: short stacking energy: -324.107 Base-Backbone interact. energy: 2.292 local terms energy: -352.463401 where: bonds (distance) C4'-P energy: -62.962 bonds (distance) P-C4' energy: -70.692 flat angles C4'-P-C4' energy: -72.995 flat angles P-C4'-P energy: -51.446 tors. eta vs tors. theta energy: -94.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -772.805870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.805870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.805870 (E_RNA) where: Base-Base interactions energy: -462.564 where: short stacking energy: -230.262 Base-Backbone interact. energy: -1.743 local terms energy: -308.498872 where: bonds (distance) C4'-P energy: -72.031 bonds (distance) P-C4' energy: -80.025 flat angles C4'-P-C4' energy: -69.620 flat angles P-C4'-P energy: -45.689 tors. eta vs tors. theta energy: -41.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -769.792170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.792170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.792170 (E_RNA) where: Base-Base interactions energy: -489.988 where: short stacking energy: -213.627 Base-Backbone interact. energy: -1.812 local terms energy: -277.991693 where: bonds (distance) C4'-P energy: -62.229 bonds (distance) P-C4' energy: -67.775 flat angles C4'-P-C4' energy: -72.227 flat angles P-C4'-P energy: -39.500 tors. eta vs tors. theta energy: -36.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -441.889032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.889032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.889032 (E_RNA) where: Base-Base interactions energy: -231.693 where: short stacking energy: -109.744 Base-Backbone interact. energy: 0.813 local terms energy: -211.008912 where: bonds (distance) C4'-P energy: -53.083 bonds (distance) P-C4' energy: -72.676 flat angles C4'-P-C4' energy: -52.810 flat angles P-C4'-P energy: -32.056 tors. eta vs tors. theta energy: -0.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1432.891026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.891026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.891026 (E_RNA) where: Base-Base interactions energy: -988.815 where: short stacking energy: -425.523 Base-Backbone interact. energy: -0.841 local terms energy: -443.234406 where: bonds (distance) C4'-P energy: -79.376 bonds (distance) P-C4' energy: -79.227 flat angles C4'-P-C4' energy: -95.135 flat angles P-C4'-P energy: -61.447 tors. eta vs tors. theta energy: -128.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1346.413404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.413404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.413404 (E_RNA) where: Base-Base interactions energy: -926.111 where: short stacking energy: -393.847 Base-Backbone interact. energy: -0.129 local terms energy: -420.172942 where: bonds (distance) C4'-P energy: -74.586 bonds (distance) P-C4' energy: -79.668 flat angles C4'-P-C4' energy: -84.865 flat angles P-C4'-P energy: -65.480 tors. eta vs tors. theta energy: -115.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1342.247702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.247702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.247702 (E_RNA) where: Base-Base interactions energy: -929.005 where: short stacking energy: -392.727 Base-Backbone interact. energy: -3.654 local terms energy: -409.588662 where: bonds (distance) C4'-P energy: -76.706 bonds (distance) P-C4' energy: -78.809 flat angles C4'-P-C4' energy: -84.926 flat angles P-C4'-P energy: -54.169 tors. eta vs tors. theta energy: -114.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1270.223272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.223272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.223272 (E_RNA) where: Base-Base interactions energy: -881.003 where: short stacking energy: -375.949 Base-Backbone interact. energy: -2.314 local terms energy: -386.905812 where: bonds (distance) C4'-P energy: -74.431 bonds (distance) P-C4' energy: -63.419 flat angles C4'-P-C4' energy: -77.853 flat angles P-C4'-P energy: -61.053 tors. eta vs tors. theta energy: -110.150 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: 3 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -1185.135946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.135946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.135946 (E_RNA) where: Base-Base interactions energy: -813.867 where: short stacking energy: -324.876 Base-Backbone interact. energy: -2.949 local terms energy: -368.319922 where: bonds (distance) C4'-P energy: -72.498 bonds (distance) P-C4' energy: -75.593 flat angles C4'-P-C4' energy: -82.928 flat angles P-C4'-P energy: -53.509 tors. eta vs tors. theta energy: -83.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1073.444050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.444050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.444050 (E_RNA) where: Base-Base interactions energy: -720.093 where: short stacking energy: -325.641 Base-Backbone interact. energy: -2.000 local terms energy: -351.351488 where: bonds (distance) C4'-P energy: -65.686 bonds (distance) P-C4' energy: -69.767 flat angles C4'-P-C4' energy: -84.008 flat angles P-C4'-P energy: -47.217 tors. eta vs tors. theta energy: -84.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1030.879704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.879704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.879704 (E_RNA) where: Base-Base interactions energy: -695.839 where: short stacking energy: -289.266 Base-Backbone interact. energy: -2.767 local terms energy: -332.273671 where: bonds (distance) C4'-P energy: -74.022 bonds (distance) P-C4' energy: -76.041 flat angles C4'-P-C4' energy: -64.144 flat angles P-C4'-P energy: -50.917 tors. eta vs tors. theta energy: -67.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -802.719683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.719683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.719683 (E_RNA) where: Base-Base interactions energy: -532.114 where: short stacking energy: -236.098 Base-Backbone interact. energy: -1.747 local terms energy: -268.857779 where: bonds (distance) C4'-P energy: -49.005 bonds (distance) P-C4' energy: -68.313 flat angles C4'-P-C4' energy: -65.065 flat angles P-C4'-P energy: -40.537 tors. eta vs tors. theta energy: -45.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -701.464443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.464443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.464443 (E_RNA) where: Base-Base interactions energy: -441.439 where: short stacking energy: -212.187 Base-Backbone interact. energy: -1.242 local terms energy: -258.784184 where: bonds (distance) C4'-P energy: -68.548 bonds (distance) P-C4' energy: -60.915 flat angles C4'-P-C4' energy: -63.537 flat angles P-C4'-P energy: -20.690 tors. eta vs tors. theta energy: -45.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -460.699422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.699422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.699422 (E_RNA) where: Base-Base interactions energy: -245.443 where: short stacking energy: -124.487 Base-Backbone interact. energy: -1.431 local terms energy: -213.825983 where: bonds (distance) C4'-P energy: -70.781 bonds (distance) P-C4' energy: -55.872 flat angles C4'-P-C4' energy: -62.888 flat angles P-C4'-P energy: -27.041 tors. eta vs tors. theta energy: 2.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1422.798389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.798389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.798389 (E_RNA) where: Base-Base interactions energy: -991.009 where: short stacking energy: -422.136 Base-Backbone interact. energy: -3.203 local terms energy: -428.586101 where: bonds (distance) C4'-P energy: -83.169 bonds (distance) P-C4' energy: -66.912 flat angles C4'-P-C4' energy: -85.522 flat angles P-C4'-P energy: -70.040 tors. eta vs tors. theta energy: -122.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1356.738700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.738700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.738700 (E_RNA) where: Base-Base interactions energy: -937.493 where: short stacking energy: -404.812 Base-Backbone interact. energy: -1.505 local terms energy: -417.740327 where: bonds (distance) C4'-P energy: -81.496 bonds (distance) P-C4' energy: -80.412 flat angles C4'-P-C4' energy: -90.046 flat angles P-C4'-P energy: -49.392 tors. eta vs tors. theta energy: -116.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1342.171110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.171110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.171110 (E_RNA) where: Base-Base interactions energy: -923.533 where: short stacking energy: -376.918 Base-Backbone interact. energy: -3.343 local terms energy: -415.295537 where: bonds (distance) C4'-P energy: -86.656 bonds (distance) P-C4' energy: -77.954 flat angles C4'-P-C4' energy: -81.910 flat angles P-C4'-P energy: -47.194 tors. eta vs tors. theta energy: -121.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1258.501049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.501049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.501049 (E_RNA) where: Base-Base interactions energy: -880.346 where: short stacking energy: -383.097 Base-Backbone interact. energy: -0.697 local terms energy: -377.457468 where: bonds (distance) C4'-P energy: -69.263 bonds (distance) P-C4' energy: -66.723 flat angles C4'-P-C4' energy: -81.631 flat angles P-C4'-P energy: -47.984 tors. eta vs tors. theta energy: -111.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -1169.212442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.212442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.212442 (E_RNA) where: Base-Base interactions energy: -826.809 where: short stacking energy: -328.558 Base-Backbone interact. energy: -0.059 local terms energy: -342.345173 where: bonds (distance) C4'-P energy: -62.441 bonds (distance) P-C4' energy: -85.543 flat angles C4'-P-C4' energy: -65.327 flat angles P-C4'-P energy: -40.214 tors. eta vs tors. theta energy: -88.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1050.609920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.609920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.609920 (E_RNA) where: Base-Base interactions energy: -689.280 where: short stacking energy: -302.018 Base-Backbone interact. energy: 2.101 local terms energy: -363.431847 where: bonds (distance) C4'-P energy: -74.331 bonds (distance) P-C4' energy: -74.641 flat angles C4'-P-C4' energy: -69.187 flat angles P-C4'-P energy: -57.085 tors. eta vs tors. theta energy: -88.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1024.114720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.114720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.114720 (E_RNA) where: Base-Base interactions energy: -676.864 where: short stacking energy: -296.383 Base-Backbone interact. energy: -2.031 local terms energy: -345.219839 where: bonds (distance) C4'-P energy: -76.946 bonds (distance) P-C4' energy: -72.247 flat angles C4'-P-C4' energy: -70.487 flat angles P-C4'-P energy: -48.122 tors. eta vs tors. theta energy: -77.416 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: 1 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -835.098489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.098489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.098489 (E_RNA) where: Base-Base interactions energy: -546.432 where: short stacking energy: -236.393 Base-Backbone interact. energy: -2.366 local terms energy: -286.300583 where: bonds (distance) C4'-P energy: -58.205 bonds (distance) P-C4' energy: -75.536 flat angles C4'-P-C4' energy: -67.250 flat angles P-C4'-P energy: -36.445 tors. eta vs tors. theta energy: -48.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -705.914491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.914491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.914491 (E_RNA) where: Base-Base interactions energy: -458.080 where: short stacking energy: -216.071 Base-Backbone interact. energy: -1.443 local terms energy: -246.391817 where: bonds (distance) C4'-P energy: -52.588 bonds (distance) P-C4' energy: -61.027 flat angles C4'-P-C4' energy: -59.208 flat angles P-C4'-P energy: -32.336 tors. eta vs tors. theta energy: -41.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -492.554674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.554674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.554674 (E_RNA) where: Base-Base interactions energy: -271.333 where: short stacking energy: -164.608 Base-Backbone interact. energy: -1.857 local terms energy: -219.363945 where: bonds (distance) C4'-P energy: -62.180 bonds (distance) P-C4' energy: -66.162 flat angles C4'-P-C4' energy: -65.043 flat angles P-C4'-P energy: -17.112 tors. eta vs tors. theta energy: -8.866 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: 9 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1416.769386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.769386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.769386 (E_RNA) where: Base-Base interactions energy: -976.213 where: short stacking energy: -417.954 Base-Backbone interact. energy: -2.154 local terms energy: -438.402664 where: bonds (distance) C4'-P energy: -85.471 bonds (distance) P-C4' energy: -75.484 flat angles C4'-P-C4' energy: -92.561 flat angles P-C4'-P energy: -59.914 tors. eta vs tors. theta energy: -124.973 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: 2, replica: 10 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1401.386383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.386383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.386383 (E_RNA) where: Base-Base interactions energy: -975.880 where: short stacking energy: -422.672 Base-Backbone interact. energy: -2.567 local terms energy: -422.939110 where: bonds (distance) C4'-P energy: -65.034 bonds (distance) P-C4' energy: -79.193 flat angles C4'-P-C4' energy: -91.471 flat angles P-C4'-P energy: -65.425 tors. eta vs tors. theta energy: -121.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1328.296504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.296504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.296504 (E_RNA) where: Base-Base interactions energy: -921.169 where: short stacking energy: -390.873 Base-Backbone interact. energy: -2.830 local terms energy: -404.296738 where: bonds (distance) C4'-P energy: -76.032 bonds (distance) P-C4' energy: -74.497 flat angles C4'-P-C4' energy: -86.883 flat angles P-C4'-P energy: -61.890 tors. eta vs tors. theta energy: -104.995 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: 4, replica: 6 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1254.209870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.209870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.209870 (E_RNA) where: Base-Base interactions energy: -850.334 where: short stacking energy: -375.119 Base-Backbone interact. energy: -2.814 local terms energy: -401.061288 where: bonds (distance) C4'-P energy: -80.408 bonds (distance) P-C4' energy: -73.651 flat angles C4'-P-C4' energy: -84.955 flat angles P-C4'-P energy: -51.135 tors. eta vs tors. theta energy: -110.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -1155.223322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.223322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.223322 (E_RNA) where: Base-Base interactions energy: -816.872 where: short stacking energy: -327.261 Base-Backbone interact. energy: -1.251 local terms energy: -337.100906 where: bonds (distance) C4'-P energy: -52.540 bonds (distance) P-C4' energy: -67.229 flat angles C4'-P-C4' energy: -83.220 flat angles P-C4'-P energy: -52.506 tors. eta vs tors. theta energy: -81.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1092.068148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.068148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.068148 (E_RNA) where: Base-Base interactions energy: -762.714 where: short stacking energy: -327.716 Base-Backbone interact. energy: 0.295 local terms energy: -329.648935 where: bonds (distance) C4'-P energy: -68.845 bonds (distance) P-C4' energy: -59.325 flat angles C4'-P-C4' energy: -77.281 flat angles P-C4'-P energy: -51.901 tors. eta vs tors. theta energy: -72.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1015.639235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.639235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.639235 (E_RNA) where: Base-Base interactions energy: -684.614 where: short stacking energy: -314.391 Base-Backbone interact. energy: 3.303 local terms energy: -334.327497 where: bonds (distance) C4'-P energy: -47.417 bonds (distance) P-C4' energy: -67.949 flat angles C4'-P-C4' energy: -76.575 flat angles P-C4'-P energy: -58.861 tors. eta vs tors. theta energy: -83.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -786.789212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.789212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.789212 (E_RNA) where: Base-Base interactions energy: -499.290 where: short stacking energy: -219.851 Base-Backbone interact. energy: 1.913 local terms energy: -289.412506 where: bonds (distance) C4'-P energy: -56.226 bonds (distance) P-C4' energy: -69.885 flat angles C4'-P-C4' energy: -80.156 flat angles P-C4'-P energy: -40.655 tors. eta vs tors. theta energy: -42.491 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: 2 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -700.961214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.961214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.961214 (E_RNA) where: Base-Base interactions energy: -435.053 where: short stacking energy: -214.004 Base-Backbone interact. energy: -2.683 local terms energy: -263.225300 where: bonds (distance) C4'-P energy: -53.696 bonds (distance) P-C4' energy: -65.554 flat angles C4'-P-C4' energy: -60.395 flat angles P-C4'-P energy: -41.407 tors. eta vs tors. theta energy: -42.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -474.422446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.422446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.422446 (E_RNA) where: Base-Base interactions energy: -252.739 where: short stacking energy: -133.084 Base-Backbone interact. energy: 1.869 local terms energy: -223.552444 where: bonds (distance) C4'-P energy: -63.286 bonds (distance) P-C4' energy: -50.752 flat angles C4'-P-C4' energy: -64.747 flat angles P-C4'-P energy: -43.192 tors. eta vs tors. theta energy: -1.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1426.444910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.444910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.444910 (E_RNA) where: Base-Base interactions energy: -972.289 where: short stacking energy: -421.733 Base-Backbone interact. energy: -1.360 local terms energy: -452.795942 where: bonds (distance) C4'-P energy: -68.755 bonds (distance) P-C4' energy: -94.862 flat angles C4'-P-C4' energy: -95.322 flat angles P-C4'-P energy: -62.392 tors. eta vs tors. theta energy: -131.464 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: 9 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1418.569888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.569888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.569888 (E_RNA) where: Base-Base interactions energy: -983.305 where: short stacking energy: -431.144 Base-Backbone interact. energy: -1.255 local terms energy: -434.009991 where: bonds (distance) C4'-P energy: -82.722 bonds (distance) P-C4' energy: -71.669 flat angles C4'-P-C4' energy: -91.815 flat angles P-C4'-P energy: -60.883 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: 3, replica: 5 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1325.882434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.882434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.882434 (E_RNA) where: Base-Base interactions energy: -942.154 where: short stacking energy: -375.610 Base-Backbone interact. energy: -0.808 local terms energy: -382.920277 where: bonds (distance) C4'-P energy: -68.256 bonds (distance) P-C4' energy: -69.208 flat angles C4'-P-C4' energy: -88.667 flat angles P-C4'-P energy: -51.295 tors. eta vs tors. theta energy: -105.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1309.703172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.703172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.703172 (E_RNA) where: Base-Base interactions energy: -900.669 where: short stacking energy: -388.860 Base-Backbone interact. energy: -0.983 local terms energy: -408.051172 where: bonds (distance) C4'-P energy: -74.369 bonds (distance) P-C4' energy: -73.944 flat angles C4'-P-C4' energy: -82.222 flat angles P-C4'-P energy: -56.636 tors. eta vs tors. theta energy: -120.881 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: 5, replica: 3 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1130.205409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.205409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.205409 (E_RNA) where: Base-Base interactions energy: -766.066 where: short stacking energy: -318.595 Base-Backbone interact. energy: -0.685 local terms energy: -363.454010 where: bonds (distance) C4'-P energy: -67.283 bonds (distance) P-C4' energy: -76.779 flat angles C4'-P-C4' energy: -80.113 flat angles P-C4'-P energy: -52.273 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: 8 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1084.228373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.228373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.228373 (E_RNA) where: Base-Base interactions energy: -767.431 where: short stacking energy: -301.290 Base-Backbone interact. energy: -2.211 local terms energy: -314.585977 where: bonds (distance) C4'-P energy: -54.385 bonds (distance) P-C4' energy: -75.093 flat angles C4'-P-C4' energy: -77.668 flat angles P-C4'-P energy: -37.356 tors. eta vs tors. theta energy: -70.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1032.843601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.843601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.843601 (E_RNA) where: Base-Base interactions energy: -706.392 where: short stacking energy: -315.749 Base-Backbone interact. energy: 0.419 local terms energy: -326.870079 where: bonds (distance) C4'-P energy: -67.149 bonds (distance) P-C4' energy: -57.654 flat angles C4'-P-C4' energy: -80.602 flat angles P-C4'-P energy: -43.883 tors. eta vs tors. theta energy: -77.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -809.698963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.698963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.698963 (E_RNA) where: Base-Base interactions energy: -519.532 where: short stacking energy: -242.472 Base-Backbone interact. energy: 1.567 local terms energy: -291.733814 where: bonds (distance) C4'-P energy: -69.239 bonds (distance) P-C4' energy: -62.836 flat angles C4'-P-C4' energy: -75.597 flat angles P-C4'-P energy: -36.566 tors. eta vs tors. theta energy: -47.495 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: 9, replica: 2 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -689.465982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.465982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.465982 (E_RNA) where: Base-Base interactions energy: -432.060 where: short stacking energy: -216.808 Base-Backbone interact. energy: 0.488 local terms energy: -257.893819 where: bonds (distance) C4'-P energy: -55.445 bonds (distance) P-C4' energy: -48.467 flat angles C4'-P-C4' energy: -67.735 flat angles P-C4'-P energy: -35.123 tors. eta vs tors. theta energy: -51.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -485.111438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.111438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.111438 (E_RNA) where: Base-Base interactions energy: -240.883 where: short stacking energy: -140.594 Base-Backbone interact. energy: -1.319 local terms energy: -242.909519 where: bonds (distance) C4'-P energy: -56.660 bonds (distance) P-C4' energy: -78.839 flat angles C4'-P-C4' energy: -61.876 flat angles P-C4'-P energy: -44.621 tors. eta vs tors. theta energy: -0.914 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: 483 Temperature: 0.900000 Total energy: -1413.175180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.175180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.175180 (E_RNA) where: Base-Base interactions energy: -982.527 where: short stacking energy: -424.085 Base-Backbone interact. energy: 2.521 local terms energy: -433.169746 where: bonds (distance) C4'-P energy: -76.109 bonds (distance) P-C4' energy: -78.658 flat angles C4'-P-C4' energy: -81.937 flat angles P-C4'-P energy: -68.899 tors. eta vs tors. theta energy: -127.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1425.326662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.326662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.326662 (E_RNA) where: Base-Base interactions energy: -982.894 where: short stacking energy: -430.208 Base-Backbone interact. energy: -1.774 local terms energy: -440.658823 where: bonds (distance) C4'-P energy: -75.774 bonds (distance) P-C4' energy: -72.772 flat angles C4'-P-C4' energy: -95.417 flat angles P-C4'-P energy: -67.178 tors. eta vs tors. theta energy: -129.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -1327.677097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.677097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.677097 (E_RNA) where: Base-Base interactions energy: -909.525 where: short stacking energy: -377.234 Base-Backbone interact. energy: -3.230 local terms energy: -414.921919 where: bonds (distance) C4'-P energy: -84.690 bonds (distance) P-C4' energy: -80.158 flat angles C4'-P-C4' energy: -75.729 flat angles P-C4'-P energy: -58.280 tors. eta vs tors. theta energy: -116.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -1272.481109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.481109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.481109 (E_RNA) where: Base-Base interactions energy: -851.719 where: short stacking energy: -386.700 Base-Backbone interact. energy: -1.076 local terms energy: -419.685990 where: bonds (distance) C4'-P energy: -74.890 bonds (distance) P-C4' energy: -80.288 flat angles C4'-P-C4' energy: -84.464 flat angles P-C4'-P energy: -59.489 tors. eta vs tors. theta energy: -120.555 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: 3 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -1147.429229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.429229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.429229 (E_RNA) where: Base-Base interactions energy: -772.049 where: short stacking energy: -342.148 Base-Backbone interact. energy: -2.352 local terms energy: -373.028187 where: bonds (distance) C4'-P energy: -68.077 bonds (distance) P-C4' energy: -72.203 flat angles C4'-P-C4' energy: -85.253 flat angles P-C4'-P energy: -55.125 tors. eta vs tors. theta energy: -92.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1099.540789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.540789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.540789 (E_RNA) where: Base-Base interactions energy: -750.770 where: short stacking energy: -324.268 Base-Backbone interact. energy: -0.743 local terms energy: -348.027278 where: bonds (distance) C4'-P energy: -66.692 bonds (distance) P-C4' energy: -68.672 flat angles C4'-P-C4' energy: -73.194 flat angles P-C4'-P energy: -50.648 tors. eta vs tors. theta energy: -88.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -999.433943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.433943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.433943 (E_RNA) where: Base-Base interactions energy: -685.109 where: short stacking energy: -316.319 Base-Backbone interact. energy: 0.458 local terms energy: -314.783513 where: bonds (distance) C4'-P energy: -51.491 bonds (distance) P-C4' energy: -53.569 flat angles C4'-P-C4' energy: -85.403 flat angles P-C4'-P energy: -53.060 tors. eta vs tors. theta energy: -71.260 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: 8, replica: 1 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -815.979355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.979355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.979355 (E_RNA) where: Base-Base interactions energy: -521.126 where: short stacking energy: -216.812 Base-Backbone interact. energy: 2.773 local terms energy: -297.626787 where: bonds (distance) C4'-P energy: -73.200 bonds (distance) P-C4' energy: -66.844 flat angles C4'-P-C4' energy: -56.949 flat angles P-C4'-P energy: -43.152 tors. eta vs tors. theta energy: -57.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -663.438552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.438552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.438552 (E_RNA) where: Base-Base interactions energy: -407.665 where: short stacking energy: -200.412 Base-Backbone interact. energy: -1.451 local terms energy: -254.322447 where: bonds (distance) C4'-P energy: -76.905 bonds (distance) P-C4' energy: -70.088 flat angles C4'-P-C4' energy: -50.660 flat angles P-C4'-P energy: -35.944 tors. eta vs tors. theta energy: -20.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -488.733949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.733949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.733949 (E_RNA) where: Base-Base interactions energy: -250.060 where: short stacking energy: -143.271 Base-Backbone interact. energy: 2.210 local terms energy: -240.883918 where: bonds (distance) C4'-P energy: -72.355 bonds (distance) P-C4' energy: -66.643 flat angles C4'-P-C4' energy: -56.822 flat angles P-C4'-P energy: -30.029 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: 1, replica: 10 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1418.896132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.896132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.896132 (E_RNA) where: Base-Base interactions energy: -996.185 where: short stacking energy: -439.841 Base-Backbone interact. energy: 1.136 local terms energy: -423.847031 where: bonds (distance) C4'-P energy: -75.058 bonds (distance) P-C4' energy: -67.547 flat angles C4'-P-C4' energy: -88.738 flat angles P-C4'-P energy: -64.829 tors. eta vs tors. theta energy: -127.676 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: 2, replica: 9 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1409.408678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.408678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.408678 (E_RNA) where: Base-Base interactions energy: -979.816 where: short stacking energy: -420.009 Base-Backbone interact. energy: -2.236 local terms energy: -427.356706 where: bonds (distance) C4'-P energy: -71.576 bonds (distance) P-C4' energy: -71.652 flat angles C4'-P-C4' energy: -91.355 flat angles P-C4'-P energy: -59.832 tors. eta vs tors. theta energy: -132.941 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: 3, replica: 5 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -1326.104847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.104847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.104847 (E_RNA) where: Base-Base interactions energy: -910.442 where: short stacking energy: -381.527 Base-Backbone interact. energy: -0.997 local terms energy: -414.666710 where: bonds (distance) C4'-P energy: -72.711 bonds (distance) P-C4' energy: -88.439 flat angles C4'-P-C4' energy: -78.933 flat angles P-C4'-P energy: -59.325 tors. eta vs tors. theta energy: -115.259 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: 6 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -1293.847437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.847437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.847437 (E_RNA) where: Base-Base interactions energy: -884.657 where: short stacking energy: -390.809 Base-Backbone interact. energy: -2.823 local terms energy: -406.367812 where: bonds (distance) C4'-P energy: -70.070 bonds (distance) P-C4' energy: -71.645 flat angles C4'-P-C4' energy: -87.291 flat angles P-C4'-P energy: -58.341 tors. eta vs tors. theta energy: -119.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -1171.759498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.759498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.759498 (E_RNA) where: Base-Base interactions energy: -805.216 where: short stacking energy: -335.251 Base-Backbone interact. energy: 1.586 local terms energy: -368.129406 where: bonds (distance) C4'-P energy: -68.886 bonds (distance) P-C4' energy: -61.488 flat angles C4'-P-C4' energy: -85.734 flat angles P-C4'-P energy: -52.580 tors. eta vs tors. theta energy: -99.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1135.157682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.157682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.157682 (E_RNA) where: Base-Base interactions energy: -762.128 where: short stacking energy: -314.644 Base-Backbone interact. energy: -1.628 local terms energy: -371.402303 where: bonds (distance) C4'-P energy: -63.279 bonds (distance) P-C4' energy: -80.019 flat angles C4'-P-C4' energy: -89.063 flat angles P-C4'-P energy: -50.193 tors. eta vs tors. theta energy: -88.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1044.996558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.996558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.996558 (E_RNA) where: Base-Base interactions energy: -708.768 where: short stacking energy: -310.104 Base-Backbone interact. energy: -2.846 local terms energy: -333.382378 where: bonds (distance) C4'-P energy: -65.467 bonds (distance) P-C4' energy: -67.074 flat angles C4'-P-C4' energy: -74.588 flat angles P-C4'-P energy: -45.605 tors. eta vs tors. theta energy: -80.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -795.936364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.936364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.936364 (E_RNA) where: Base-Base interactions energy: -509.273 where: short stacking energy: -232.943 Base-Backbone interact. energy: 1.152 local terms energy: -287.815176 where: bonds (distance) C4'-P energy: -67.296 bonds (distance) P-C4' energy: -65.169 flat angles C4'-P-C4' energy: -68.437 flat angles P-C4'-P energy: -38.128 tors. eta vs tors. theta energy: -48.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -667.622298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.622298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.622298 (E_RNA) where: Base-Base interactions energy: -406.515 where: short stacking energy: -200.734 Base-Backbone interact. energy: -0.361 local terms energy: -260.745465 where: bonds (distance) C4'-P energy: -51.004 bonds (distance) P-C4' energy: -75.291 flat angles C4'-P-C4' energy: -59.043 flat angles P-C4'-P energy: -48.353 tors. eta vs tors. theta energy: -27.055 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: 10, replica: 7 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -438.010299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.010299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.010299 (E_RNA) where: Base-Base interactions energy: -229.661 where: short stacking energy: -148.919 Base-Backbone interact. energy: -2.784 local terms energy: -205.565443 where: bonds (distance) C4'-P energy: -56.089 bonds (distance) P-C4' energy: -68.128 flat angles C4'-P-C4' energy: -65.595 flat angles P-C4'-P energy: -11.141 tors. eta vs tors. theta energy: -4.611 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: 485 Temperature: 0.900000 Total energy: -1424.008757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.008757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.008757 (E_RNA) where: Base-Base interactions energy: -985.233 where: short stacking energy: -429.783 Base-Backbone interact. energy: 0.101 local terms energy: -438.876787 where: bonds (distance) C4'-P energy: -88.362 bonds (distance) P-C4' energy: -80.744 flat angles C4'-P-C4' energy: -85.893 flat angles P-C4'-P energy: -55.263 tors. eta vs tors. theta energy: -128.615 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: 9 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -1401.731392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.731392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.731392 (E_RNA) where: Base-Base interactions energy: -955.281 where: short stacking energy: -415.624 Base-Backbone interact. energy: -2.154 local terms energy: -444.295430 where: bonds (distance) C4'-P energy: -85.490 bonds (distance) P-C4' energy: -73.582 flat angles C4'-P-C4' energy: -92.807 flat angles P-C4'-P energy: -66.526 tors. eta vs tors. theta energy: -125.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -1297.549993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.549993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.549993 (E_RNA) where: Base-Base interactions energy: -907.883 where: short stacking energy: -376.653 Base-Backbone interact. energy: -4.416 local terms energy: -385.251560 where: bonds (distance) C4'-P energy: -63.438 bonds (distance) P-C4' energy: -68.485 flat angles C4'-P-C4' energy: -87.896 flat angles P-C4'-P energy: -51.652 tors. eta vs tors. theta energy: -113.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -1283.268483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.268483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.268483 (E_RNA) where: Base-Base interactions energy: -885.655 where: short stacking energy: -403.577 Base-Backbone interact. energy: -0.128 local terms energy: -397.485806 where: bonds (distance) C4'-P energy: -78.039 bonds (distance) P-C4' energy: -54.377 flat angles C4'-P-C4' energy: -80.839 flat angles P-C4'-P energy: -60.153 tors. eta vs tors. theta energy: -124.078 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: 5, replica: 3 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -1134.676962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.676962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.676962 (E_RNA) where: Base-Base interactions energy: -780.687 where: short stacking energy: -325.352 Base-Backbone interact. energy: -1.971 local terms energy: -352.018585 where: bonds (distance) C4'-P energy: -51.629 bonds (distance) P-C4' energy: -82.262 flat angles C4'-P-C4' energy: -77.907 flat angles P-C4'-P energy: -54.777 tors. eta vs tors. theta energy: -85.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -1121.933841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.933841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.933841 (E_RNA) where: Base-Base interactions energy: -759.789 where: short stacking energy: -333.884 Base-Backbone interact. energy: -3.994 local terms energy: -358.150010 where: bonds (distance) C4'-P energy: -56.989 bonds (distance) P-C4' energy: -68.407 flat angles C4'-P-C4' energy: -81.240 flat angles P-C4'-P energy: -53.432 tors. eta vs tors. theta energy: -98.083 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: 4 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -1015.020322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.020322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.020322 (E_RNA) where: Base-Base interactions energy: -694.321 where: short stacking energy: -295.681 Base-Backbone interact. energy: 0.803 local terms energy: -321.503016 where: bonds (distance) C4'-P energy: -62.889 bonds (distance) P-C4' energy: -58.064 flat angles C4'-P-C4' energy: -79.829 flat angles P-C4'-P energy: -48.274 tors. eta vs tors. theta energy: -72.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -814.117779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.117779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.117779 (E_RNA) where: Base-Base interactions energy: -531.050 where: short stacking energy: -241.882 Base-Backbone interact. energy: -2.318 local terms energy: -280.749950 where: bonds (distance) C4'-P energy: -51.779 bonds (distance) P-C4' energy: -63.347 flat angles C4'-P-C4' energy: -72.951 flat angles P-C4'-P energy: -50.692 tors. eta vs tors. theta energy: -41.982 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: 2 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -666.953483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.953483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.953483 (E_RNA) where: Base-Base interactions energy: -407.345 where: short stacking energy: -201.522 Base-Backbone interact. energy: 1.016 local terms energy: -260.624124 where: bonds (distance) C4'-P energy: -66.134 bonds (distance) P-C4' energy: -56.211 flat angles C4'-P-C4' energy: -64.151 flat angles P-C4'-P energy: -42.833 tors. eta vs tors. theta energy: -31.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -504.533945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.533945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.533945 (E_RNA) where: Base-Base interactions energy: -266.805 where: short stacking energy: -148.286 Base-Backbone interact. energy: -0.343 local terms energy: -237.385299 where: bonds (distance) C4'-P energy: -58.703 bonds (distance) P-C4' energy: -67.352 flat angles C4'-P-C4' energy: -67.918 flat angles P-C4'-P energy: -30.315 tors. eta vs tors. theta energy: -13.098 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: 10 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -1419.768553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.768553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.768553 (E_RNA) where: Base-Base interactions energy: -997.710 where: short stacking energy: -426.173 Base-Backbone interact. energy: -0.563 local terms energy: -421.495574 where: bonds (distance) C4'-P energy: -84.218 bonds (distance) P-C4' energy: -65.843 flat angles C4'-P-C4' energy: -98.574 flat angles P-C4'-P energy: -47.799 tors. eta vs tors. theta energy: -125.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -1421.188987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.188987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.188987 (E_RNA) where: Base-Base interactions energy: -997.567 where: short stacking energy: -439.912 Base-Backbone interact. energy: -0.889 local terms energy: -422.732544 where: bonds (distance) C4'-P energy: -76.967 bonds (distance) P-C4' energy: -73.538 flat angles C4'-P-C4' energy: -81.888 flat angles P-C4'-P energy: -61.370 tors. eta vs tors. theta energy: -128.969 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: 3, replica: 6 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -1311.659184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.659184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.659184 (E_RNA) where: Base-Base interactions energy: -902.738 where: short stacking energy: -402.412 Base-Backbone interact. energy: -0.550 local terms energy: -408.371402 where: bonds (distance) C4'-P energy: -64.441 bonds (distance) P-C4' energy: -72.986 flat angles C4'-P-C4' energy: -90.342 flat angles P-C4'-P energy: -57.715 tors. eta vs tors. theta energy: -122.886 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: 486 Temperature: 1.050000 Total energy: -1287.386745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.386745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.386745 (E_RNA) where: Base-Base interactions energy: -897.316 where: short stacking energy: -375.588 Base-Backbone interact. energy: -4.285 local terms energy: -385.785575 where: bonds (distance) C4'-P energy: -69.514 bonds (distance) P-C4' energy: -71.004 flat angles C4'-P-C4' energy: -83.251 flat angles P-C4'-P energy: -57.090 tors. eta vs tors. theta energy: -104.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -1125.904483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.904483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.904483 (E_RNA) where: Base-Base interactions energy: -764.227 where: short stacking energy: -316.691 Base-Backbone interact. energy: -3.338 local terms energy: -358.339340 where: bonds (distance) C4'-P energy: -61.885 bonds (distance) P-C4' energy: -78.337 flat angles C4'-P-C4' energy: -81.325 flat angles P-C4'-P energy: -55.536 tors. eta vs tors. theta energy: -81.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -1124.781269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.781269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.781269 (E_RNA) where: Base-Base interactions energy: -769.065 where: short stacking energy: -308.464 Base-Backbone interact. energy: -0.756 local terms energy: -354.959650 where: bonds (distance) C4'-P energy: -70.844 bonds (distance) P-C4' energy: -77.956 flat angles C4'-P-C4' energy: -76.918 flat angles P-C4'-P energy: -43.378 tors. eta vs tors. theta energy: -85.864 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: 4 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -1047.873658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.873658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.873658 (E_RNA) where: Base-Base interactions energy: -696.669 where: short stacking energy: -304.028 Base-Backbone interact. energy: -2.549 local terms energy: -348.655448 where: bonds (distance) C4'-P energy: -66.691 bonds (distance) P-C4' energy: -68.624 flat angles C4'-P-C4' energy: -75.835 flat angles P-C4'-P energy: -55.275 tors. eta vs tors. theta energy: -82.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -832.085841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.085841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.085841 (E_RNA) where: Base-Base interactions energy: -538.187 where: short stacking energy: -235.239 Base-Backbone interact. energy: 3.132 local terms energy: -297.030670 where: bonds (distance) C4'-P energy: -75.540 bonds (distance) P-C4' energy: -61.139 flat angles C4'-P-C4' energy: -59.408 flat angles P-C4'-P energy: -42.978 tors. eta vs tors. theta energy: -57.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -686.710301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.710301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.710301 (E_RNA) where: Base-Base interactions energy: -407.953 where: short stacking energy: -191.020 Base-Backbone interact. energy: -0.659 local terms energy: -278.098482 where: bonds (distance) C4'-P energy: -65.457 bonds (distance) P-C4' energy: -74.449 flat angles C4'-P-C4' energy: -64.956 flat angles P-C4'-P energy: -34.832 tors. eta vs tors. theta energy: -38.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -474.724820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.724820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.724820 (E_RNA) where: Base-Base interactions energy: -245.214 where: short stacking energy: -144.095 Base-Backbone interact. energy: -0.880 local terms energy: -228.631377 where: bonds (distance) C4'-P energy: -55.682 bonds (distance) P-C4' energy: -61.691 flat angles C4'-P-C4' energy: -51.580 flat angles P-C4'-P energy: -41.403 tors. eta vs tors. theta energy: -18.276 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: 487 Temperature: 0.900000 Total energy: -1427.524816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.524816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.524816 (E_RNA) where: Base-Base interactions energy: -994.345 where: short stacking energy: -422.248 Base-Backbone interact. energy: -1.851 local terms energy: -431.328750 where: bonds (distance) C4'-P energy: -79.830 bonds (distance) P-C4' energy: -81.372 flat angles C4'-P-C4' energy: -86.174 flat angles P-C4'-P energy: -61.313 tors. eta vs tors. theta energy: -122.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -1404.048459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.048459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.048459 (E_RNA) where: Base-Base interactions energy: -978.857 where: short stacking energy: -412.140 Base-Backbone interact. energy: -1.810 local terms energy: -423.381435 where: bonds (distance) C4'-P energy: -69.827 bonds (distance) P-C4' energy: -80.476 flat angles C4'-P-C4' energy: -93.844 flat angles P-C4'-P energy: -57.841 tors. eta vs tors. theta energy: -121.395 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: 6 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -1322.496735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.496735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.496735 (E_RNA) where: Base-Base interactions energy: -899.939 where: short stacking energy: -375.216 Base-Backbone interact. energy: -2.161 local terms energy: -420.396076 where: bonds (distance) C4'-P energy: -76.515 bonds (distance) P-C4' energy: -75.320 flat angles C4'-P-C4' energy: -89.025 flat angles P-C4'-P energy: -62.711 tors. eta vs tors. theta energy: -116.826 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: 487 Temperature: 1.050000 Total energy: -1301.721582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.721582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.721582 (E_RNA) where: Base-Base interactions energy: -896.039 where: short stacking energy: -381.279 Base-Backbone interact. energy: -1.666 local terms energy: -404.016057 where: bonds (distance) C4'-P energy: -74.824 bonds (distance) P-C4' energy: -75.723 flat angles C4'-P-C4' energy: -78.914 flat angles P-C4'-P energy: -64.274 tors. eta vs tors. theta energy: -110.280 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: 8 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -1159.154582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.154582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.154582 (E_RNA) where: Base-Base interactions energy: -785.391 where: short stacking energy: -324.802 Base-Backbone interact. energy: -4.549 local terms energy: -369.214821 where: bonds (distance) C4'-P energy: -71.439 bonds (distance) P-C4' energy: -75.690 flat angles C4'-P-C4' energy: -83.191 flat angles P-C4'-P energy: -52.796 tors. eta vs tors. theta energy: -86.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -1095.544949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.544949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.544949 (E_RNA) where: Base-Base interactions energy: -763.836 where: short stacking energy: -313.240 Base-Backbone interact. energy: -1.320 local terms energy: -330.389007 where: bonds (distance) C4'-P energy: -67.414 bonds (distance) P-C4' energy: -65.363 flat angles C4'-P-C4' energy: -75.207 flat angles P-C4'-P energy: -43.201 tors. eta vs tors. theta energy: -79.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -1043.673193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.673193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.673193 (E_RNA) where: Base-Base interactions energy: -700.941 where: short stacking energy: -310.470 Base-Backbone interact. energy: -0.941 local terms energy: -341.791457 where: bonds (distance) C4'-P energy: -70.567 bonds (distance) P-C4' energy: -70.418 flat angles C4'-P-C4' energy: -72.189 flat angles P-C4'-P energy: -49.983 tors. eta vs tors. theta energy: -78.635 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: 1 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -832.855388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.855388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.855388 (E_RNA) where: Base-Base interactions energy: -547.536 where: short stacking energy: -238.162 Base-Backbone interact. energy: -0.771 local terms energy: -284.547593 where: bonds (distance) C4'-P energy: -58.285 bonds (distance) P-C4' energy: -70.933 flat angles C4'-P-C4' energy: -65.343 flat angles P-C4'-P energy: -44.753 tors. eta vs tors. theta energy: -45.234 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: 9, replica: 2 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -644.682839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.682839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.682839 (E_RNA) where: Base-Base interactions energy: -389.044 where: short stacking energy: -170.882 Base-Backbone interact. energy: 7.089 local terms energy: -262.727323 where: bonds (distance) C4'-P energy: -61.423 bonds (distance) P-C4' energy: -72.202 flat angles C4'-P-C4' energy: -63.125 flat angles P-C4'-P energy: -37.085 tors. eta vs tors. theta energy: -28.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -454.838763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.838763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.838763 (E_RNA) where: Base-Base interactions energy: -260.105 where: short stacking energy: -134.377 Base-Backbone interact. energy: -2.072 local terms energy: -192.661691 where: bonds (distance) C4'-P energy: -72.367 bonds (distance) P-C4' energy: -45.745 flat angles C4'-P-C4' energy: -37.381 flat angles P-C4'-P energy: -34.239 tors. eta vs tors. theta energy: -2.930 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: 9 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -1412.836606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.836606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.836606 (E_RNA) where: Base-Base interactions energy: -979.544 where: short stacking energy: -419.625 Base-Backbone interact. energy: 0.282 local terms energy: -433.574208 where: bonds (distance) C4'-P energy: -83.120 bonds (distance) P-C4' energy: -76.992 flat angles C4'-P-C4' energy: -90.113 flat angles P-C4'-P energy: -59.752 tors. eta vs tors. theta energy: -123.597 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: 10 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -1396.750637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.750637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.750637 (E_RNA) where: Base-Base interactions energy: -971.646 where: short stacking energy: -414.256 Base-Backbone interact. energy: 1.676 local terms energy: -426.781225 where: bonds (distance) C4'-P energy: -77.402 bonds (distance) P-C4' energy: -80.476 flat angles C4'-P-C4' energy: -86.360 flat angles P-C4'-P energy: -63.700 tors. eta vs tors. theta energy: -118.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -1345.283899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.283899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.283899 (E_RNA) where: Base-Base interactions energy: -912.749 where: short stacking energy: -408.367 Base-Backbone interact. energy: -2.865 local terms energy: -429.669695 where: bonds (distance) C4'-P energy: -89.941 bonds (distance) P-C4' energy: -60.567 flat angles C4'-P-C4' energy: -91.476 flat angles P-C4'-P energy: -61.893 tors. eta vs tors. theta energy: -125.792 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: 5 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -1271.929539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.929539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.929539 (E_RNA) where: Base-Base interactions energy: -882.354 where: short stacking energy: -369.467 Base-Backbone interact. energy: -1.028 local terms energy: -388.547970 where: bonds (distance) C4'-P energy: -68.647 bonds (distance) P-C4' energy: -72.660 flat angles C4'-P-C4' energy: -87.732 flat angles P-C4'-P energy: -50.102 tors. eta vs tors. theta energy: -109.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -1204.977771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.977771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.977771 (E_RNA) where: Base-Base interactions energy: -846.698 where: short stacking energy: -328.432 Base-Backbone interact. energy: 2.978 local terms energy: -361.258160 where: bonds (distance) C4'-P energy: -72.275 bonds (distance) P-C4' energy: -76.504 flat angles C4'-P-C4' energy: -77.315 flat angles P-C4'-P energy: -57.800 tors. eta vs tors. theta energy: -77.364 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: 3 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -1095.042552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.042552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.042552 (E_RNA) where: Base-Base interactions energy: -736.134 where: short stacking energy: -316.200 Base-Backbone interact. energy: -0.325 local terms energy: -358.583631 where: bonds (distance) C4'-P energy: -64.445 bonds (distance) P-C4' energy: -74.287 flat angles C4'-P-C4' energy: -78.907 flat angles P-C4'-P energy: -54.399 tors. eta vs tors. theta energy: -86.546 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: 4 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1053.628243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.628243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.628243 (E_RNA) where: Base-Base interactions energy: -727.499 where: short stacking energy: -318.251 Base-Backbone interact. energy: -1.032 local terms energy: -325.096576 where: bonds (distance) C4'-P energy: -51.099 bonds (distance) P-C4' energy: -64.534 flat angles C4'-P-C4' energy: -72.201 flat angles P-C4'-P energy: -48.033 tors. eta vs tors. theta energy: -89.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -844.794321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.794321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.794321 (E_RNA) where: Base-Base interactions energy: -553.173 where: short stacking energy: -263.074 Base-Backbone interact. energy: -0.915 local terms energy: -290.706161 where: bonds (distance) C4'-P energy: -65.877 bonds (distance) P-C4' energy: -69.689 flat angles C4'-P-C4' energy: -64.902 flat angles P-C4'-P energy: -33.961 tors. eta vs tors. theta energy: -56.276 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: 2 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -620.493707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.493707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.493707 (E_RNA) where: Base-Base interactions energy: -366.506 where: short stacking energy: -174.976 Base-Backbone interact. energy: -1.665 local terms energy: -252.321779 where: bonds (distance) C4'-P energy: -72.126 bonds (distance) P-C4' energy: -59.314 flat angles C4'-P-C4' energy: -46.003 flat angles P-C4'-P energy: -53.670 tors. eta vs tors. theta energy: -21.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -488.544131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.544131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.544131 (E_RNA) where: Base-Base interactions energy: -252.080 where: short stacking energy: -147.730 Base-Backbone interact. energy: -0.751 local terms energy: -235.713439 where: bonds (distance) C4'-P energy: -52.137 bonds (distance) P-C4' energy: -72.127 flat angles C4'-P-C4' energy: -60.231 flat angles P-C4'-P energy: -50.577 tors. eta vs tors. theta energy: -0.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -1434.533738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.533738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.533738 (E_RNA) where: Base-Base interactions energy: -995.067 where: short stacking energy: -440.810 Base-Backbone interact. energy: -0.490 local terms energy: -438.976605 where: bonds (distance) C4'-P energy: -76.419 bonds (distance) P-C4' energy: -75.074 flat angles C4'-P-C4' energy: -93.764 flat angles P-C4'-P energy: -64.962 tors. eta vs tors. theta energy: -128.758 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: 10 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -1397.366505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.366505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.366505 (E_RNA) where: Base-Base interactions energy: -968.185 where: short stacking energy: -416.093 Base-Backbone interact. energy: 0.462 local terms energy: -429.643683 where: bonds (distance) C4'-P energy: -80.878 bonds (distance) P-C4' energy: -75.827 flat angles C4'-P-C4' energy: -84.366 flat angles P-C4'-P energy: -59.870 tors. eta vs tors. theta energy: -128.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -1297.160004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.160004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.160004 (E_RNA) where: Base-Base interactions energy: -902.090 where: short stacking energy: -386.048 Base-Backbone interact. energy: -0.054 local terms energy: -395.015355 where: bonds (distance) C4'-P energy: -73.291 bonds (distance) P-C4' energy: -68.862 flat angles C4'-P-C4' energy: -80.029 flat angles P-C4'-P energy: -64.850 tors. eta vs tors. theta energy: -107.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -1293.423832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.423832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.423832 (E_RNA) where: Base-Base interactions energy: -895.872 where: short stacking energy: -385.788 Base-Backbone interact. energy: -2.244 local terms energy: -395.307302 where: bonds (distance) C4'-P energy: -74.593 bonds (distance) P-C4' energy: -64.085 flat angles C4'-P-C4' energy: -81.374 flat angles P-C4'-P energy: -62.435 tors. eta vs tors. theta energy: -112.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -1187.309674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.309674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.309674 (E_RNA) where: Base-Base interactions energy: -824.640 where: short stacking energy: -353.252 Base-Backbone interact. energy: -3.752 local terms energy: -358.917489 where: bonds (distance) C4'-P energy: -63.819 bonds (distance) P-C4' energy: -63.563 flat angles C4'-P-C4' energy: -78.335 flat angles P-C4'-P energy: -56.780 tors. eta vs tors. theta energy: -96.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -1070.011283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.011283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.011283 (E_RNA) where: Base-Base interactions energy: -718.989 where: short stacking energy: -303.513 Base-Backbone interact. energy: 3.097 local terms energy: -354.118439 where: bonds (distance) C4'-P energy: -69.398 bonds (distance) P-C4' energy: -79.017 flat angles C4'-P-C4' energy: -71.410 flat angles P-C4'-P energy: -51.477 tors. eta vs tors. theta energy: -82.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1082.914448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.914448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.914448 (E_RNA) where: Base-Base interactions energy: -727.012 where: short stacking energy: -307.311 Base-Backbone interact. energy: 0.998 local terms energy: -356.900328 where: bonds (distance) C4'-P energy: -74.131 bonds (distance) P-C4' energy: -73.030 flat angles C4'-P-C4' energy: -75.280 flat angles P-C4'-P energy: -56.909 tors. eta vs tors. theta energy: -77.550 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: 8, replica: 1 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -816.148961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.148961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.148961 (E_RNA) where: Base-Base interactions energy: -528.797 where: short stacking energy: -246.850 Base-Backbone interact. energy: 1.296 local terms energy: -288.647632 where: bonds (distance) C4'-P energy: -70.624 bonds (distance) P-C4' energy: -63.637 flat angles C4'-P-C4' energy: -65.814 flat angles P-C4'-P energy: -39.067 tors. eta vs tors. theta energy: -49.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -578.028834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.028834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.028834 (E_RNA) where: Base-Base interactions energy: -322.081 where: short stacking energy: -175.269 Base-Backbone interact. energy: 3.325 local terms energy: -259.272719 where: bonds (distance) C4'-P energy: -76.215 bonds (distance) P-C4' energy: -69.492 flat angles C4'-P-C4' energy: -62.266 flat angles P-C4'-P energy: -33.882 tors. eta vs tors. theta energy: -17.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -477.261947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.261947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.261947 (E_RNA) where: Base-Base interactions energy: -260.049 where: short stacking energy: -132.966 Base-Backbone interact. energy: -1.347 local terms energy: -215.865615 where: bonds (distance) C4'-P energy: -67.820 bonds (distance) P-C4' energy: -63.941 flat angles C4'-P-C4' energy: -46.996 flat angles P-C4'-P energy: -34.182 tors. eta vs tors. theta energy: -2.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -1444.701636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.701636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.701636 (E_RNA) where: Base-Base interactions energy: -985.269 where: short stacking energy: -432.209 Base-Backbone interact. energy: -2.054 local terms energy: -457.378032 where: bonds (distance) C4'-P energy: -84.257 bonds (distance) P-C4' energy: -86.632 flat angles C4'-P-C4' energy: -93.319 flat angles P-C4'-P energy: -58.817 tors. eta vs tors. theta energy: -134.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -1377.255941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.255941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.255941 (E_RNA) where: Base-Base interactions energy: -922.306 where: short stacking energy: -406.197 Base-Backbone interact. energy: -2.360 local terms energy: -452.590248 where: bonds (distance) C4'-P energy: -80.052 bonds (distance) P-C4' energy: -93.539 flat angles C4'-P-C4' energy: -94.738 flat angles P-C4'-P energy: -61.805 tors. eta vs tors. theta energy: -122.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -1355.540928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.540928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.540928 (E_RNA) where: Base-Base interactions energy: -929.014 where: short stacking energy: -402.673 Base-Backbone interact. energy: -2.313 local terms energy: -424.213476 where: bonds (distance) C4'-P energy: -81.100 bonds (distance) P-C4' energy: -80.032 flat angles C4'-P-C4' energy: -82.607 flat angles P-C4'-P energy: -60.363 tors. eta vs tors. theta energy: -120.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -1294.891587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.891587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.891587 (E_RNA) where: Base-Base interactions energy: -897.914 where: short stacking energy: -369.097 Base-Backbone interact. energy: -1.012 local terms energy: -395.966443 where: bonds (distance) C4'-P energy: -72.568 bonds (distance) P-C4' energy: -71.382 flat angles C4'-P-C4' energy: -86.735 flat angles P-C4'-P energy: -55.816 tors. eta vs tors. theta energy: -109.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -1174.935400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.935400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.935400 (E_RNA) where: Base-Base interactions energy: -815.402 where: short stacking energy: -310.815 Base-Backbone interact. energy: 1.165 local terms energy: -360.698584 where: bonds (distance) C4'-P energy: -72.358 bonds (distance) P-C4' energy: -77.196 flat angles C4'-P-C4' energy: -78.693 flat angles P-C4'-P energy: -46.976 tors. eta vs tors. theta energy: -85.475 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: 6, replica: 3 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -1064.512679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.512679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.512679 (E_RNA) where: Base-Base interactions energy: -742.353 where: short stacking energy: -304.310 Base-Backbone interact. energy: -2.445 local terms energy: -319.715088 where: bonds (distance) C4'-P energy: -61.742 bonds (distance) P-C4' energy: -55.892 flat angles C4'-P-C4' energy: -82.931 flat angles P-C4'-P energy: -55.751 tors. eta vs tors. theta energy: -63.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -1025.446888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.446888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.446888 (E_RNA) where: Base-Base interactions energy: -705.205 where: short stacking energy: -283.983 Base-Backbone interact. energy: 0.833 local terms energy: -321.074998 where: bonds (distance) C4'-P energy: -62.641 bonds (distance) P-C4' energy: -63.127 flat angles C4'-P-C4' energy: -78.125 flat angles P-C4'-P energy: -44.782 tors. eta vs tors. theta energy: -72.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -827.286225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.286225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.286225 (E_RNA) where: Base-Base interactions energy: -535.705 where: short stacking energy: -235.353 Base-Backbone interact. energy: -0.980 local terms energy: -290.600606 where: bonds (distance) C4'-P energy: -55.485 bonds (distance) P-C4' energy: -76.338 flat angles C4'-P-C4' energy: -76.350 flat angles P-C4'-P energy: -41.199 tors. eta vs tors. theta energy: -41.229 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: 9, replica: 2 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -561.366219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.366219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.366219 (E_RNA) where: Base-Base interactions energy: -339.622 where: short stacking energy: -164.862 Base-Backbone interact. energy: -1.406 local terms energy: -220.339040 where: bonds (distance) C4'-P energy: -50.244 bonds (distance) P-C4' energy: -66.333 flat angles C4'-P-C4' energy: -52.636 flat angles P-C4'-P energy: -36.734 tors. eta vs tors. theta energy: -14.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -465.741563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.741563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.741563 (E_RNA) where: Base-Base interactions energy: -239.352 where: short stacking energy: -135.593 Base-Backbone interact. energy: 0.149 local terms energy: -226.539285 where: bonds (distance) C4'-P energy: -63.821 bonds (distance) P-C4' energy: -61.374 flat angles C4'-P-C4' energy: -49.585 flat angles P-C4'-P energy: -36.594 tors. eta vs tors. theta energy: -15.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -1446.227935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.227935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.227935 (E_RNA) where: Base-Base interactions energy: -987.457 where: short stacking energy: -424.893 Base-Backbone interact. energy: 0.711 local terms energy: -459.481453 where: bonds (distance) C4'-P energy: -86.698 bonds (distance) P-C4' energy: -81.729 flat angles C4'-P-C4' energy: -90.457 flat angles P-C4'-P energy: -73.893 tors. eta vs tors. theta energy: -126.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -1392.993373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.993373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.993373 (E_RNA) where: Base-Base interactions energy: -961.412 where: short stacking energy: -424.276 Base-Backbone interact. energy: -2.238 local terms energy: -429.343814 where: bonds (distance) C4'-P energy: -78.449 bonds (distance) P-C4' energy: -71.648 flat angles C4'-P-C4' energy: -93.180 flat angles P-C4'-P energy: -61.004 tors. eta vs tors. theta energy: -125.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -1317.258012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.258012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.258012 (E_RNA) where: Base-Base interactions energy: -904.397 where: short stacking energy: -390.237 Base-Backbone interact. energy: -0.208 local terms energy: -412.652165 where: bonds (distance) C4'-P energy: -78.074 bonds (distance) P-C4' energy: -72.819 flat angles C4'-P-C4' energy: -87.115 flat angles P-C4'-P energy: -56.062 tors. eta vs tors. theta energy: -118.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -1291.986667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.986667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.986667 (E_RNA) where: Base-Base interactions energy: -919.449 where: short stacking energy: -370.459 Base-Backbone interact. energy: -2.500 local terms energy: -370.037490 where: bonds (distance) C4'-P energy: -64.853 bonds (distance) P-C4' energy: -67.888 flat angles C4'-P-C4' energy: -77.691 flat angles P-C4'-P energy: -57.757 tors. eta vs tors. theta energy: -101.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -1134.637522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.637522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.637522 (E_RNA) where: Base-Base interactions energy: -783.151 where: short stacking energy: -336.536 Base-Backbone interact. energy: -0.571 local terms energy: -350.915465 where: bonds (distance) C4'-P energy: -68.302 bonds (distance) P-C4' energy: -68.303 flat angles C4'-P-C4' energy: -77.341 flat angles P-C4'-P energy: -51.474 tors. eta vs tors. theta energy: -85.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -1068.380409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.380409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.380409 (E_RNA) where: Base-Base interactions energy: -732.810 where: short stacking energy: -313.342 Base-Backbone interact. energy: -0.835 local terms energy: -334.735086 where: bonds (distance) C4'-P energy: -65.410 bonds (distance) P-C4' energy: -62.151 flat angles C4'-P-C4' energy: -77.469 flat angles P-C4'-P energy: -55.832 tors. eta vs tors. theta energy: -73.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -1024.253543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.253543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.253543 (E_RNA) where: Base-Base interactions energy: -700.814 where: short stacking energy: -297.223 Base-Backbone interact. energy: 0.577 local terms energy: -324.016393 where: bonds (distance) C4'-P energy: -64.232 bonds (distance) P-C4' energy: -78.407 flat angles C4'-P-C4' energy: -65.633 flat angles P-C4'-P energy: -43.258 tors. eta vs tors. theta energy: -72.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -832.940435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.940435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.940435 (E_RNA) where: Base-Base interactions energy: -531.330 where: short stacking energy: -231.143 Base-Backbone interact. energy: -2.363 local terms energy: -299.248261 where: bonds (distance) C4'-P energy: -63.952 bonds (distance) P-C4' energy: -74.314 flat angles C4'-P-C4' energy: -69.837 flat angles P-C4'-P energy: -42.549 tors. eta vs tors. theta energy: -48.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -547.462131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.462131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.462131 (E_RNA) where: Base-Base interactions energy: -302.652 where: short stacking energy: -149.661 Base-Backbone interact. energy: -1.900 local terms energy: -242.910224 where: bonds (distance) C4'-P energy: -51.808 bonds (distance) P-C4' energy: -79.452 flat angles C4'-P-C4' energy: -68.056 flat angles P-C4'-P energy: -37.876 tors. eta vs tors. theta energy: -5.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -446.326719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.326719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.326719 (E_RNA) where: Base-Base interactions energy: -224.678 where: short stacking energy: -121.510 Base-Backbone interact. energy: 0.479 local terms energy: -222.128170 where: bonds (distance) C4'-P energy: -68.731 bonds (distance) P-C4' energy: -64.760 flat angles C4'-P-C4' energy: -63.906 flat angles P-C4'-P energy: -31.431 tors. eta vs tors. theta energy: 6.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -1442.546118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.546118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.546118 (E_RNA) where: Base-Base interactions energy: -987.831 where: short stacking energy: -421.722 Base-Backbone interact. energy: -0.754 local terms energy: -453.961157 where: bonds (distance) C4'-P energy: -82.373 bonds (distance) P-C4' energy: -82.277 flat angles C4'-P-C4' energy: -94.425 flat angles P-C4'-P energy: -72.233 tors. eta vs tors. theta energy: -122.654 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: 10 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -1390.209752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.209752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.209752 (E_RNA) where: Base-Base interactions energy: -948.250 where: short stacking energy: -412.533 Base-Backbone interact. energy: -1.158 local terms energy: -440.802275 where: bonds (distance) C4'-P energy: -84.355 bonds (distance) P-C4' energy: -83.878 flat angles C4'-P-C4' energy: -91.312 flat angles P-C4'-P energy: -55.432 tors. eta vs tors. theta energy: -125.825 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: 6 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -1312.582635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.582635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.582635 (E_RNA) where: Base-Base interactions energy: -905.868 where: short stacking energy: -399.824 Base-Backbone interact. energy: 0.467 local terms energy: -407.181620 where: bonds (distance) C4'-P energy: -81.415 bonds (distance) P-C4' energy: -74.424 flat angles C4'-P-C4' energy: -85.615 flat angles P-C4'-P energy: -50.617 tors. eta vs tors. theta energy: -115.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -1291.171512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.171512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.171512 (E_RNA) where: Base-Base interactions energy: -915.238 where: short stacking energy: -372.046 Base-Backbone interact. energy: -3.725 local terms energy: -372.208268 where: bonds (distance) C4'-P energy: -67.241 bonds (distance) P-C4' energy: -74.287 flat angles C4'-P-C4' energy: -83.568 flat angles P-C4'-P energy: -47.748 tors. eta vs tors. theta energy: -99.364 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: 5, replica: 8 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -1192.873066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.873066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.873066 (E_RNA) where: Base-Base interactions energy: -850.270 where: short stacking energy: -339.744 Base-Backbone interact. energy: 1.247 local terms energy: -343.850139 where: bonds (distance) C4'-P energy: -62.175 bonds (distance) P-C4' energy: -67.626 flat angles C4'-P-C4' energy: -75.178 flat angles P-C4'-P energy: -47.375 tors. eta vs tors. theta energy: -91.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -1015.755369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.755369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.755369 (E_RNA) where: Base-Base interactions energy: -687.968 where: short stacking energy: -328.416 Base-Backbone interact. energy: 1.022 local terms energy: -328.809331 where: bonds (distance) C4'-P energy: -68.042 bonds (distance) P-C4' energy: -66.524 flat angles C4'-P-C4' energy: -72.426 flat angles P-C4'-P energy: -43.615 tors. eta vs tors. theta energy: -78.203 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: 4 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -991.799463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.799463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.799463 (E_RNA) where: Base-Base interactions energy: -678.050 where: short stacking energy: -313.583 Base-Backbone interact. energy: 0.143 local terms energy: -313.892479 where: bonds (distance) C4'-P energy: -71.509 bonds (distance) P-C4' energy: -46.079 flat angles C4'-P-C4' energy: -74.514 flat angles P-C4'-P energy: -43.319 tors. eta vs tors. theta energy: -78.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -873.728266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.728266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.728266 (E_RNA) where: Base-Base interactions energy: -576.817 where: short stacking energy: -252.035 Base-Backbone interact. energy: -1.308 local terms energy: -295.603091 where: bonds (distance) C4'-P energy: -78.707 bonds (distance) P-C4' energy: -58.479 flat angles C4'-P-C4' energy: -67.909 flat angles P-C4'-P energy: -34.595 tors. eta vs tors. theta energy: -55.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -567.189197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.189197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.189197 (E_RNA) where: Base-Base interactions energy: -313.925 where: short stacking energy: -158.429 Base-Backbone interact. energy: -2.333 local terms energy: -250.931757 where: bonds (distance) C4'-P energy: -61.749 bonds (distance) P-C4' energy: -57.005 flat angles C4'-P-C4' energy: -81.375 flat angles P-C4'-P energy: -37.600 tors. eta vs tors. theta energy: -13.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -475.379554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.379554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.379554 (E_RNA) where: Base-Base interactions energy: -266.243 where: short stacking energy: -141.713 Base-Backbone interact. energy: -2.774 local terms energy: -206.362578 where: bonds (distance) C4'-P energy: -62.439 bonds (distance) P-C4' energy: -51.902 flat angles C4'-P-C4' energy: -62.706 flat angles P-C4'-P energy: -32.348 tors. eta vs tors. theta energy: 3.032 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: 1, replica: 9 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -1428.370888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.370888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.370888 (E_RNA) where: Base-Base interactions energy: -986.312 where: short stacking energy: -424.245 Base-Backbone interact. energy: -2.171 local terms energy: -439.888668 where: bonds (distance) C4'-P energy: -80.354 bonds (distance) P-C4' energy: -77.754 flat angles C4'-P-C4' energy: -95.746 flat angles P-C4'-P energy: -54.871 tors. eta vs tors. theta energy: -131.163 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: 10 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -1388.702894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.702894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.702894 (E_RNA) where: Base-Base interactions energy: -960.507 where: short stacking energy: -412.843 Base-Backbone interact. energy: -0.086 local terms energy: -428.109520 where: bonds (distance) C4'-P energy: -68.607 bonds (distance) P-C4' energy: -81.341 flat angles C4'-P-C4' energy: -87.608 flat angles P-C4'-P energy: -64.851 tors. eta vs tors. theta energy: -125.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -1303.990756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.990756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.990756 (E_RNA) where: Base-Base interactions energy: -900.723 where: short stacking energy: -367.784 Base-Backbone interact. energy: -1.696 local terms energy: -401.571222 where: bonds (distance) C4'-P energy: -80.227 bonds (distance) P-C4' energy: -69.347 flat angles C4'-P-C4' energy: -87.212 flat angles P-C4'-P energy: -57.771 tors. eta vs tors. theta energy: -107.014 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: 493 Temperature: 1.050000 Total energy: -1264.995913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.995913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.995913 (E_RNA) where: Base-Base interactions energy: -882.540 where: short stacking energy: -362.749 Base-Backbone interact. energy: 1.786 local terms energy: -384.242235 where: bonds (distance) C4'-P energy: -67.424 bonds (distance) P-C4' energy: -72.429 flat angles C4'-P-C4' energy: -86.110 flat angles P-C4'-P energy: -54.833 tors. eta vs tors. theta energy: -103.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -1191.194556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.194556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.194556 (E_RNA) where: Base-Base interactions energy: -833.963 where: short stacking energy: -316.187 Base-Backbone interact. energy: -2.742 local terms energy: -354.489901 where: bonds (distance) C4'-P energy: -71.869 bonds (distance) P-C4' energy: -72.253 flat angles C4'-P-C4' energy: -79.386 flat angles P-C4'-P energy: -51.765 tors. eta vs tors. theta energy: -79.216 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: 4 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -1045.221219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.221219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.221219 (E_RNA) where: Base-Base interactions energy: -695.143 where: short stacking energy: -295.662 Base-Backbone interact. energy: 0.471 local terms energy: -350.549669 where: bonds (distance) C4'-P energy: -79.384 bonds (distance) P-C4' energy: -70.338 flat angles C4'-P-C4' energy: -74.510 flat angles P-C4'-P energy: -53.929 tors. eta vs tors. theta energy: -72.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -1003.345912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.345912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.345912 (E_RNA) where: Base-Base interactions energy: -684.968 where: short stacking energy: -327.192 Base-Backbone interact. energy: -0.997 local terms energy: -317.380905 where: bonds (distance) C4'-P energy: -52.286 bonds (distance) P-C4' energy: -59.094 flat angles C4'-P-C4' energy: -78.072 flat angles P-C4'-P energy: -41.442 tors. eta vs tors. theta energy: -86.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -915.394417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.394417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.394417 (E_RNA) where: Base-Base interactions energy: -608.631 where: short stacking energy: -267.850 Base-Backbone interact. energy: -0.883 local terms energy: -305.881017 where: bonds (distance) C4'-P energy: -70.741 bonds (distance) P-C4' energy: -59.345 flat angles C4'-P-C4' energy: -71.895 flat angles P-C4'-P energy: -44.562 tors. eta vs tors. theta energy: -59.338 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: 2 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -576.075091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.075091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.075091 (E_RNA) where: Base-Base interactions energy: -333.478 where: short stacking energy: -176.544 Base-Backbone interact. energy: 0.350 local terms energy: -242.947269 where: bonds (distance) C4'-P energy: -67.069 bonds (distance) P-C4' energy: -53.194 flat angles C4'-P-C4' energy: -64.131 flat angles P-C4'-P energy: -35.664 tors. eta vs tors. theta energy: -22.890 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: 7 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -482.997636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.997636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.997636 (E_RNA) where: Base-Base interactions energy: -253.632 where: short stacking energy: -161.596 Base-Backbone interact. energy: 0.808 local terms energy: -230.173056 where: bonds (distance) C4'-P energy: -62.293 bonds (distance) P-C4' energy: -66.910 flat angles C4'-P-C4' energy: -59.752 flat angles P-C4'-P energy: -32.232 tors. eta vs tors. theta energy: -8.986 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: 494 Temperature: 0.900000 Total energy: -1400.002940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.002940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.002940 (E_RNA) where: Base-Base interactions energy: -958.624 where: short stacking energy: -407.200 Base-Backbone interact. energy: -1.821 local terms energy: -439.558378 where: bonds (distance) C4'-P energy: -78.341 bonds (distance) P-C4' energy: -80.164 flat angles C4'-P-C4' energy: -92.542 flat angles P-C4'-P energy: -65.396 tors. eta vs tors. theta energy: -123.116 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: 2, replica: 9 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -1403.731928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.731928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.731928 (E_RNA) where: Base-Base interactions energy: -974.183 where: short stacking energy: -411.376 Base-Backbone interact. energy: -2.054 local terms energy: -427.495321 where: bonds (distance) C4'-P energy: -70.244 bonds (distance) P-C4' energy: -77.809 flat angles C4'-P-C4' energy: -95.668 flat angles P-C4'-P energy: -60.482 tors. eta vs tors. theta energy: -123.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -1320.918446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.918446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.918446 (E_RNA) where: Base-Base interactions energy: -935.999 where: short stacking energy: -387.209 Base-Backbone interact. energy: -4.760 local terms energy: -380.160177 where: bonds (distance) C4'-P energy: -57.703 bonds (distance) P-C4' energy: -82.705 flat angles C4'-P-C4' energy: -77.214 flat angles P-C4'-P energy: -55.309 tors. eta vs tors. theta energy: -107.230 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: 494 Temperature: 1.050000 Total energy: -1292.687048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.687048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.687048 (E_RNA) where: Base-Base interactions energy: -879.591 where: short stacking energy: -380.787 Base-Backbone interact. energy: -0.979 local terms energy: -412.117485 where: bonds (distance) C4'-P energy: -80.968 bonds (distance) P-C4' energy: -71.643 flat angles C4'-P-C4' energy: -89.337 flat angles P-C4'-P energy: -63.061 tors. eta vs tors. theta energy: -107.109 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: 8 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -1201.928843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.928843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.928843 (E_RNA) where: Base-Base interactions energy: -823.758 where: short stacking energy: -343.241 Base-Backbone interact. energy: -3.208 local terms energy: -374.962474 where: bonds (distance) C4'-P energy: -81.910 bonds (distance) P-C4' energy: -69.145 flat angles C4'-P-C4' energy: -87.958 flat angles P-C4'-P energy: -49.065 tors. eta vs tors. theta energy: -86.885 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: 4 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -1124.765215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.765215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.765215 (E_RNA) where: Base-Base interactions energy: -760.473 where: short stacking energy: -318.780 Base-Backbone interact. energy: 2.659 local terms energy: -366.951392 where: bonds (distance) C4'-P energy: -77.519 bonds (distance) P-C4' energy: -79.679 flat angles C4'-P-C4' energy: -74.426 flat angles P-C4'-P energy: -47.023 tors. eta vs tors. theta energy: -88.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -985.869372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.869372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.869372 (E_RNA) where: Base-Base interactions energy: -647.194 where: short stacking energy: -285.140 Base-Backbone interact. energy: -2.657 local terms energy: -336.018068 where: bonds (distance) C4'-P energy: -66.873 bonds (distance) P-C4' energy: -72.651 flat angles C4'-P-C4' energy: -74.252 flat angles P-C4'-P energy: -46.421 tors. eta vs tors. theta energy: -75.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -783.803084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.803084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.803084 (E_RNA) where: Base-Base interactions energy: -491.224 where: short stacking energy: -220.186 Base-Backbone interact. energy: -0.531 local terms energy: -292.047177 where: bonds (distance) C4'-P energy: -68.913 bonds (distance) P-C4' energy: -75.069 flat angles C4'-P-C4' energy: -69.095 flat angles P-C4'-P energy: -35.952 tors. eta vs tors. theta energy: -43.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -533.600225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.600225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.600225 (E_RNA) where: Base-Base interactions energy: -301.748 where: short stacking energy: -136.070 Base-Backbone interact. energy: 1.274 local terms energy: -233.126166 where: bonds (distance) C4'-P energy: -67.609 bonds (distance) P-C4' energy: -61.300 flat angles C4'-P-C4' energy: -65.688 flat angles P-C4'-P energy: -39.769 tors. eta vs tors. theta energy: 1.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -490.768936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.768936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.768936 (E_RNA) where: Base-Base interactions energy: -250.329 where: short stacking energy: -150.438 Base-Backbone interact. energy: -0.738 local terms energy: -239.701600 where: bonds (distance) C4'-P energy: -61.251 bonds (distance) P-C4' energy: -65.736 flat angles C4'-P-C4' energy: -49.154 flat angles P-C4'-P energy: -46.821 tors. eta vs tors. theta energy: -16.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -1420.397110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.397110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.397110 (E_RNA) where: Base-Base interactions energy: -958.646 where: short stacking energy: -430.925 Base-Backbone interact. energy: 0.875 local terms energy: -462.626423 where: bonds (distance) C4'-P energy: -83.726 bonds (distance) P-C4' energy: -80.302 flat angles C4'-P-C4' energy: -96.755 flat angles P-C4'-P energy: -74.078 tors. eta vs tors. theta energy: -127.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -1393.855328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.855328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.855328 (E_RNA) where: Base-Base interactions energy: -960.371 where: short stacking energy: -418.916 Base-Backbone interact. energy: -1.444 local terms energy: -432.040506 where: bonds (distance) C4'-P energy: -83.910 bonds (distance) P-C4' energy: -69.728 flat angles C4'-P-C4' energy: -84.045 flat angles P-C4'-P energy: -69.026 tors. eta vs tors. theta energy: -125.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -1311.246553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.246553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.246553 (E_RNA) where: Base-Base interactions energy: -915.386 where: short stacking energy: -397.663 Base-Backbone interact. energy: -0.789 local terms energy: -395.071451 where: bonds (distance) C4'-P energy: -78.932 bonds (distance) P-C4' energy: -75.690 flat angles C4'-P-C4' energy: -84.690 flat angles P-C4'-P energy: -39.733 tors. eta vs tors. theta energy: -116.027 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: 495 Temperature: 1.050000 Total energy: -1293.782754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.782754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.782754 (E_RNA) where: Base-Base interactions energy: -882.307 where: short stacking energy: -390.005 Base-Backbone interact. energy: -1.989 local terms energy: -409.486362 where: bonds (distance) C4'-P energy: -84.636 bonds (distance) P-C4' energy: -72.332 flat angles C4'-P-C4' energy: -88.733 flat angles P-C4'-P energy: -54.978 tors. eta vs tors. theta energy: -108.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -1179.045637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.045637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.045637 (E_RNA) where: Base-Base interactions energy: -822.088 where: short stacking energy: -314.386 Base-Backbone interact. energy: -2.133 local terms energy: -354.825351 where: bonds (distance) C4'-P energy: -69.803 bonds (distance) P-C4' energy: -81.628 flat angles C4'-P-C4' energy: -78.197 flat angles P-C4'-P energy: -45.529 tors. eta vs tors. theta energy: -79.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -1094.459202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.459202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.459202 (E_RNA) where: Base-Base interactions energy: -731.001 where: short stacking energy: -317.434 Base-Backbone interact. energy: -1.766 local terms energy: -361.691815 where: bonds (distance) C4'-P energy: -63.918 bonds (distance) P-C4' energy: -69.010 flat angles C4'-P-C4' energy: -84.970 flat angles P-C4'-P energy: -52.671 tors. eta vs tors. theta energy: -91.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -982.993735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.993735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.993735 (E_RNA) where: Base-Base interactions energy: -662.284 where: short stacking energy: -283.628 Base-Backbone interact. energy: -1.708 local terms energy: -319.001393 where: bonds (distance) C4'-P energy: -67.732 bonds (distance) P-C4' energy: -72.860 flat angles C4'-P-C4' energy: -67.637 flat angles P-C4'-P energy: -46.453 tors. eta vs tors. theta energy: -64.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -858.816202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.816202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.816202 (E_RNA) where: Base-Base interactions energy: -574.786 where: short stacking energy: -270.251 Base-Backbone interact. energy: -0.578 local terms energy: -283.451362 where: bonds (distance) C4'-P energy: -55.953 bonds (distance) P-C4' energy: -60.369 flat angles C4'-P-C4' energy: -75.455 flat angles P-C4'-P energy: -40.499 tors. eta vs tors. theta energy: -51.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -515.634343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.634343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.634343 (E_RNA) where: Base-Base interactions energy: -300.470 where: short stacking energy: -127.945 Base-Backbone interact. energy: 1.897 local terms energy: -217.061164 where: bonds (distance) C4'-P energy: -74.294 bonds (distance) P-C4' energy: -68.539 flat angles C4'-P-C4' energy: -59.932 flat angles P-C4'-P energy: -26.487 tors. eta vs tors. theta energy: 12.190 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: 7 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -486.096377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.096377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.096377 (E_RNA) where: Base-Base interactions energy: -243.891 where: short stacking energy: -138.983 Base-Backbone interact. energy: 0.425 local terms energy: -242.630322 where: bonds (distance) C4'-P energy: -67.953 bonds (distance) P-C4' energy: -59.454 flat angles C4'-P-C4' energy: -53.274 flat angles P-C4'-P energy: -45.302 tors. eta vs tors. theta energy: -16.647 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)